Chem
J-GLOBAL ID：200907000199441612   Nikkaji number：J816.964K

(3R,3aS)-3,3a,4,5,6,7-Hexahydro-N-phenyl-7-methyl-3-(4-methoxyphenyl)-2H-indazole-2-carbothioamide

(3R,3aS)-3-(4-メトキシフェニル)-7-メチル-N-フェニル-3,3a,4,5,6,7-ヘキサヒドロ-2H-インダゾール-2-カルボチオアミド
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： C22H25N3OS
Molecular formula furigana： C22-H25-N3-O-S
Molecular weight： 379.520
InChI： InChI=1S/C22H25N3OS/c1-15-7-6-10-19-20(15)24-25(22(27)23-17-8-4-3-5-9-17)21(19)16-11-13-18(26-2)14-12-16/h3-5,8-9,11-15,19,21H,6-7,10H2,1-2H3,(H,23,27)/t15?,19-,21+/m1/s1
InChI key： LFVHOFZPVJCNIF-LIRQYPNKSA-N
SMILES： COc1ccc(cc1)[C@H]1[C@@H]2CCCC(C)C2=NN1C(=S)Nc1ccccc1
Systematic name  (3)：
  • (3R,3aS)-3,3a,4,5,6,7-ヘキサヒドロ-N-フェニル-7-メチル-3-(4-メトキシフェニル)-2H-インダゾール-2-カルボチオアミド
  • (3R,3aS)-3-(4-メトキシフェニル)-7-メチル-N-フェニル-3,3a,4,5,6,7-ヘキサヒドロ-2H-インダゾール-2-カルボチオアミド
  • (3R,3aS)-3-(4-methoxyphenyl)-7-methyl-N-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
Other name (1)：
  • (3R,3aS)-3,3a,4,5,6,7-Hexahydro-N-phenyl-7-methyl-3-(4-methoxyphenyl)-2H-indazole-2-carbothioamide
Thsaurus map：
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