(4S)-6-azanyl-4-(4-chlorophenyl)-5-cyano-N-phenyl-2-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide

Systemtic Name: (4S)-6-azanyl-4-(4-chlorophenyl)-5-cyano-N-phenyl-2-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide Openeye Name: (4S)-6-amino-2-benzylsulfanyl-4-(4-chlorophenyl)-5-cyano-N-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: (4S)-6-amino-4-(4-chlorophenyl)-5-cyano-N-phenyl-2-(phenylmethylthio)-1,4-dihydropyridine-3-carboxamide IUPAC Name: (4S)-6-amino-2-benzylsulfanyl-4-(4-chlorophenyl)-5-cyano-N-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: (4S)-6-amino-2-(benzylthio)-4-(4-chlorophenyl)-5-cyano-N-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C26H21ClN4OS MolecularWeight: 472.98914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(C(=C(N2)N)C#N)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C([C@H](C(=C(N2)N)C#N)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H21ClN4OS/c27-19-13-11-18(12-14-19)22-21(15-28)24(29)31-26(33-16-17-7-3-1-4-8-17)23(22)25(32)30-20-9-5-2-6-10-20/h1-14,22,31H,16,29H2,(H,30,32)/t22-/m0/s1