Chem
J-GLOBAL ID:200907028091257957   Nikkaji number:J2.555.704B

5β-Mercapto-2-phenyl-6β-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-dithia-3a,7-diaza-2H-indole-4-one

5β-メルカプト-2-フェニル-6β-(4-メトキシフェニル)-5,6-ジヒドロ-4H-1,3-ジチア-3a,7-ジアザ-2H-インドール-4-オン
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: C18H16N2O2S3
Molecular formula furigana: C18-H16-N2-O2-S3
Molecular weight: 388.520
InChI: InChI=1S/C18H16N2O2S3/c1-22-13-9-7-11(8-10-13)14-15(23)16(21)20-18(19-14)24-17(25-20)12-5-3-2-4-6-12/h2-10,14-15,17,23H,1H3/t14-,15+,17?/m1/s1
InChI key: GSSIZUFXTZGUDU-CKDQBVIESA-N
SMILES: COc1ccc(cc1)[C@H]1N=C2SC(SN2C(=O)[C@H]1S)c1ccccc1
Systematic name  (3):
  • 5β-メルカプト-2-フェニル-6β-(4-メトキシフェニル)-5,6-ジヒドロ-4H-1,3-ジチア-3a,7-ジアザ-2H-インドール-4-オン
  • (5R,6S)-5-(4-メトキシフェニル)-2-フェニル-6-スルファニル-2H,5H,6H,7H-[1,4,2]ジチアゾロ[2,3-a]ピリミジン-7-オン
  • (5R,6S)-5-(4-methoxyphenyl)-2-phenyl-6-sulfanyl-2H,5H,6H,7H-[1,4,2]dithiazolo[2,3-a]pyrimidin-7-one
Other name (1):
  • 5β-Mercapto-2-phenyl-6β-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-dithia-3a,7-diaza-2H-indole-4-one
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