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

Systemtic Name: (2S,3S)-5-azanyl-3-(4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)carbonyl-2,3-dihydrothiophene-4-carbonitrile Openeye Name: (2S,3S)-5-amino-3-(4-chlorophenyl)-2-(1-methylbenzimidazole-2-carbonyl)-2,3-dihydrothiophene-4-carbonitrile CAS Name: (2S,3S)-5-amino-3-(4-chlorophenyl)-2-[(1-methyl-2-benzimidazolyl)-oxomethyl]-2,3-dihydrothiophene-4-carbonitrile IUPAC Name: (2S,3S)-5-amino-3-(4-chlorophenyl)-2-(1-methylbenzimidazole-2-carbonyl)-2,3-dihydrothiophene-4-carbonitrile Traditional Name: (2S,3S)-5-amino-3-(4-chlorophenyl)-2-(1-methylbenzimidazole-2-carbonyl)-2,3-dihydrothiophene-4-carbonitrile Formula: C20H15ClN4OS MolecularWeight: 394.8773

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=O)C3C(C(=C(S3)N)C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(=O)[C@@H]3[C@H](C(=C(S3)N)C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H15ClN4OS/c1-25-15-5-3-2-4-14(15)24-20(25)17(26)18-16(13(10-22)19(23)27-18)11-6-8-12(21)9-7-11/h2-9,16,18H,23H2,1H3/t16-,18-/m0/s1