(2S,3S)-5-azanyl-2-(1-methylbenzimidazol-2-yl)carbonyl-3-(4-methylphenyl)-2,3-dihydrothiophene-4-carbonitrile

Systemtic Name: (2S,3S)-5-azanyl-2-(1-methylbenzimidazol-2-yl)carbonyl-3-(4-methylphenyl)-2,3-dihydrothiophene-4-carbonitrile Openeye Name: (2S,3S)-5-amino-2-(1-methylbenzimidazole-2-carbonyl)-3-(p-tolyl)-2,3-dihydrothiophene-4-carbonitrile CAS Name: (2S,3S)-5-amino-2-[(1-methyl-2-benzimidazolyl)-oxomethyl]-3-(4-methylphenyl)-2,3-dihydrothiophene-4-carbonitrile IUPAC Name: (2S,3S)-5-amino-2-(1-methylbenzimidazole-2-carbonyl)-3-(4-methylphenyl)-2,3-dihydrothiophene-4-carbonitrile Traditional Name: (2S,3S)-5-amino-2-(1-methylbenzimidazole-2-carbonyl)-3-(p-tolyl)-2,3-dihydrothiophene-4-carbonitrile Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(SC(=C2C#N)N)C(=O)C3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@H](SC(=C2C#N)N)C(=O)C3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C21H18N4OS/c1-12-7-9-13(10-8-12)17-14(11-22)20(23)27-19(17)18(26)21-24-15-5-3-4-6-16(15)25(21)2/h3-10,17,19H,23H2,1-2H3/t17-,19-/m0/s1