Chem
J-GLOBAL ID:200907010604377329   Nikkaji number:J2.525.876B

2,2′-[2-[2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]-5-(4-methylphenylsulfonyl)-2H,5H-1,3-dithia-5,7-diaza-s-indacene-6-yl]-9,10-dihydroanthracene-9,10-diylidene]bis(malononitrile)

2,2′-[2-[2-[4,5-ビス(プロピルチオ)-1,3-ジチオール-2-イリデン]-5-(4-メチルフェニルスルホニル)-2H,5H-1,3-ジチア-5,7-ジアザ-s-インダセン-6-イル]-9,10-ジヒドロアントラセン-9,10-ジイリデン]ビス(マロノニトリル)
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: C44H30N6O2S7
Molecular formula furigana: C44-H30-N6-O2-S7
Molecular weight: 899.180
InChI: InChI=1S/C44H30N6O2S7/c1-4-16-53-41-42(54-17-5-2)58-44(57-41)43-55-36-19-34-35(20-37(36)56-43)50(59(51,52)29-13-10-25(3)11-14-29)40(49-34)26-12-15-32-33(18-26)39(28(23-47)24-48)31-9-7-6-8-30(31)38(32)27(21-45)22-46/h6-15,18-20H,4-5,16-17H2,1-3H3
InChI key: QJVFADWYHPMAGS-UHFFFAOYSA-N
SMILES: CCCSC1=C(SCCC)S/C(=c/2\sc3cc4nc(c5ccc6c(c5)c(=C(C#N)C#N)c5ccccc5c6=C(C#N)C#N)n(c4cc3s2)S(=O)(=O)c2ccc(C)cc2)/S1
Systematic name  (3):
  • 2,2′-[2-[2-[4,5-ビス(プロピルチオ)-1,3-ジチオール-2-イリデン]-5-(4-メチルフェニルスルホニル)-2H,5H-1,3-ジチア-5,7-ジアザ-s-インダセン-6-イル]-9,10-ジヒドロアントラセン-9,10-ジイリデン]ビス(マロノニトリル)
  • 2-(2-{5-[4,5-ビス(プロピルスルファニル)-2H-1,3-ジチオール-2-イリデン]-12-(4-メチルベンゼンスルホニル)-4,6-ジチア-10,12-ジアザトリシクロ[7.3.0.03,7]ドデカ-1,3(7),8,10-テトラエン-11-イル}-10-(ジシアノメチリデン)-9,10-ジヒドロアントラセン-9-イリデン)プロパンジニトリル
  • 2-(2-{5-[4,5-bis(propylsulfanyl)-2H-1,3-dithiol-2-ylidene]-12-(4-methylbenzenesulfonyl)-4,6-dithia-10,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraen-11-yl}-10-(dicyanomethylidene)-9,10-dihydroanthracen-9-ylidene)propanedinitrile
Other name (1):
  • 2,2′-[2-[2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]-5-(4-methylphenylsulfonyl)-2H,5H-1,3-dithia-5,7-diaza-s-indacene-6-yl]-9,10-dihydroanthracene-9,10-diylidene]bis(malononitrile)
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