(2S)-2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(4-chlorophenyl)-1,2-dihydropyridine-3-carbonitrile

Systemtic Name: (2S)-2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(4-chlorophenyl)-1,2-dihydropyridine-3-carbonitrile Openeye Name: (2S)-2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(4-chlorophenyl)-1,2-dihydropyridine-3-carbonitrile CAS Name: (2S)-2-(1H-benzimidazol-2-ylmethylthio)-6-(4-chlorophenyl)-1,2-dihydropyridine-3-carbonitrile IUPAC Name: (2S)-2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(4-chlorophenyl)-1,2-dihydropyridine-3-carbonitrile Traditional Name: (2S)-2-(1H-benzimidazol-2-ylmethylthio)-6-(4-chlorophenyl)-1,2-dihydropyridine-3-carbonitrile Formula: C20H15ClN4S MolecularWeight: 378.8779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3C(=CC=C(N3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CS[C@H]3C(=CC=C(N3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C20H15ClN4S/c21-15-8-5-13(6-9-15)16-10-7-14(11-22)20(25-16)26-12-19-23-17-3-1-2-4-18(17)24-19/h1-10,20,25H,12H2,(H,23,24)/t20-/m0/s1