Chem
J-GLOBAL ID：200907049676926851
Nikkaji number：J1.873.413C
(3aβ,7aα)-1,3-Dimethyl-2-[2-(phenylthio)phenyl]octahydro-1H-benzimidazole
(3aβ,7aα)-1,3-ジメチル-2-[2-(フェニルチオ)フェニル]オクタヒドロ-1H-ベンゾイミダゾール
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
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
Molecular formula： C21H26N2S
Molecular formula furigana： C21-H26-N2-S
Molecular weight： 338.510
InChI：
InChI=1S/C21H26N2S/c1-22-18-13-7-8-14-19(18)23(2)21(22)17-12-6-9-15-20(17)24-16-10-4-3-5-11-16/h3-6,9-12,15,18-19,21H,7-8,13-14H2,1-2H3/t18-,19-/m1/s1
InChI key：
GOFOMGOJCGQOLS-RTBURBONSA-N
SMILES：
CN1[C@@H]2CCCC[C@H]2N(C)C1c1ccccc1Sc1ccccc1
Systematic name (3)：
- (3aβ,7aα)-1,3-ジメチル-2-[2-(フェニルチオ)フェニル]オクタヒドロ-1H-ベンゾイミダゾール
- (3aR,7aR)-1,3-ジメチル-2-[2-(フェニルスルファニル)フェニル]-オクタヒドロ-1H-1,3-ベンゾジアゾール
- (3aR,7aR)-1,3-dimethyl-2-[2-(phenylsulfanyl)phenyl]-octahydro-1H-1,3-benzodiazole
- (3aβ,7aα)-1,3-Dimethyl-2-[2-(phenylthio)phenyl]octahydro-1H-benzimidazole
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