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

Systemtic Name: 4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-benzylsulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-(phenylmethylthio)-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-benzylsulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-(benzylthio)-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C27H22ClN3OS MolecularWeight: 472.00108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H22ClN3OS/c1-18-24(26(32)31-20-12-6-3-7-13-20)25(21-14-8-9-15-23(21)28)22(16-29)27(30-18)33-17-19-10-4-2-5-11-19/h2-15,25,30H,17H2,1H3,(H,31,32)