Chem
J-GLOBAL ID：200907044691069289   Nikkaji number：J376.116I

BN-50739

BN-50739
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： C28H26ClN5O2S3
Molecular formula furigana： C28-H26-CL-N5-O2-S3
Molecular weight： 596.180
InChI： InChI=1S/C28H26ClN5O2S3/c1-16-31-32-24-13-30-27(18-6-4-5-7-20(18)29)26-19-10-11-33(14-23(19)39-28(26)34(16)24)25(37)15-38-17-8-9-21(35-2)22(12-17)36-3/h4-9,12H,10-11,13-15H2,1-3H3
InChI key： MRVWRDZEYURFSW-UHFFFAOYSA-N
SMILES： COc1ccc(SCC(=S)N2CCc3c(C2)sc2c3C(=NCc3nnc(C)n23)c2ccccc2Cl)cc1OC
Systematic name  (3)：
  • 6-(2-クロロフェニル)-9-[2-[(3,4-ジメトキシフェニル)チオ]-1-チオキソエチル]-7,8,9,10-テトラヒドロ-1-メチル-4H-ピリド[4′,3′:4,5]チエノ[3,2-f][1,2,4]トリアゾロ[4,3-a][1,4]ジアゼピン
  • 1-[9-(2-クロロフェニル)-3-メチル-17-チア-2,4,5,8,14-ペンタアザテトラシクロ[8.7.0.02,6.011,16]ヘプタデカ-1(10),3,5,8,11(16)-ペンタエン-14-イル]-2-[(3,4-ジメトキシフェニル)スルファニル]エタン-1-チオン
  • 1-[9-(2-chlorophenyl)-3-methyl-17-thia-2,4,5,8,14-pentaazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaen-14-yl]-2-[(3,4-dimethoxyphenyl)sulfanyl]ethane-1-thione
Other name (2)：
  • BN-50739
  • 6-(2-Chlorophenyl)-9-[2-[(3,4-dimethoxyphenyl)thio]-1-thioxoethyl]-7,8,9,10-tetrahydro-1-methyl-4H-pyrido[4′,3′:4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
CAS registry number： 128672-07-1
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