Chem
J-GLOBAL ID:200907000158544113   Nikkaji number:J2.126.113K

(Z)-2-[5-(Difluoromethylene)-6-(trifluoromethyl)-6-cyano-1′,1′,3′,3′-tetramethylspiro[1-thia-3-aza-3-cycloheptene-2,2′-indan]-4-ylthiomethyl]-2,3-bis(trifluoromethyl)-4-fluoro-4-(1,1,3,3-tetramethylindan-2-ylideneamino)-3-butenenitrile

(Z)-2-[5-(ジフルオロメチレン)-6-(トリフルオロメチル)-6-シアノ-1′,1′,3′,3′-テトラメチルスピロ[1-チア-3-アザ-3-シクロヘプテン-2,2′-インダン]-4-イルチオメチル]-2,3-ビス(トリフルオロメチル)-4-フルオロ-4-(1,1,3,3-テトラメチルインダン-2-イリデンアミノ)-3-ブテンニトリル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C40H36F12N4S2
Molecular formula furigana: C40-H36-F12-N4-S2
Molecular weight: 864.860
InChI: InChI=1S/C40H36F12N4S2/c1-31(2)21-13-9-10-14-22(21)32(3,4)30(31)55-28(43)26(37(44,45)46)36(18-54,40(50,51)52)19-57-29-25(27(41)42)35(17-53,39(47,48)49)20-58-38(56-29)33(5,6)23-15-11-12-16-24(23)34(38,7)8/h9-16H,19-20H2,1-8H3/b28-26+
InChI key: IAAKDRWAMRSOQD-BYCLXTJYSA-N
SMILES: CC1(C)C(=N/C(=C(/C(F)(F)F)\C(CSC2=NC3(SCC(C#N)(C2=C(F)F)C(F)(F)F)C(C)(C)c2ccccc2C3(C)C)(C#N)C(F)(F)F)/F)C(C)(C)c2ccccc12
Systematic name  (3):
  • (Z)-2-[5-(ジフルオロメチレン)-6-(トリフルオロメチル)-6-シアノ-1′,1′,3′,3′-テトラメチルスピロ[1-チア-3-アザ-3-シクロヘプテン-2,2′-インダン]-4-イルチオメチル]-2,3-ビス(トリフルオロメチル)-4-フルオロ-4-(1,1,3,3-テトラメチルインダン-2-イリデンアミノ)-3-ブテンニトリル
  • 4'-({2-シアノ-2-[(1Z)-1,3,3,3-テトラフルオロ-1-[(1,1,3,3-テトラメチル-2,3-ジヒドロ-1H-インデン-2-イリデン)アミノ]プロパ-1-エン-2-イル]-2-(トリフルオロメチル)エチル}スルファニル)-5'-(ジフルオロメチリデン)-1,1,3,3-テトラメチル-6'-(トリフルオロメチル)-1,3,6',7'-テトラヒドロ-5'H-スピロ[インデン-2,2'-[1,3]チアゼピン]-6'-カルボニトリル
  • 4'-({2-cyano-2-[(1Z)-1,3,3,3-tetrafluoro-1-[(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-2-ylidene)amino]prop-1-en-2-yl]-2-(trifluoromethyl)ethyl}sulfanyl)-5'-(difluoromethylidene)-1,1,3,3-tetramethyl-6'-(trifluoromethyl)-1,3,6',7'-tetrahydro-5'H-spiro[indene-2,2'-[1,3]thiazepine]-6'-carbonitrile
Other name (1):
  • (Z)-2-[5-(Difluoromethylene)-6-(trifluoromethyl)-6-cyano-1′,1′,3′,3′-tetramethylspiro[1-thia-3-aza-3-cycloheptene-2,2′-indan]-4-ylthiomethyl]-2,3-bis(trifluoromethyl)-4-fluoro-4-(1,1,3,3-tetramethylindan-2-ylideneamino)-3-butenenitrile
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