[4-(2-chlorophenyl)-5-cyano-2-phenyl-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridin-2-yl] benzoate

Systemtic Name: [4-(2-chlorophenyl)-5-cyano-2-phenyl-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridin-2-yl] benzoate Openeye Name: [6-benzylsulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-3,4-dihydro-1H-pyridin-2-yl] benzoate CAS Name: benzoic acid [4-(2-chlorophenyl)-5-cyano-2-phenyl-6-(phenylmethylthio)-3,4-dihydro-1H-pyridin-2-yl] ester IUPAC Name: [6-benzylsulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-3,4-dihydro-1H-pyridin-2-yl] benzoate Traditional Name: benzoic acid [6-(benzylthio)-4-(2-chlorophenyl)-5-cyano-2-phenyl-3,4-dihydro-1H-pyridin-2-yl] ester Formula: C32H25ClN2O2S MolecularWeight: 537.0711

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)SCC4=CC=CC=C4)C#N)C5=CC=CC=C5Cl

Isomeric SMILES

C1C(C(=C(NC1(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)SCC4=CC=CC=C4)C#N)C5=CC=CC=C5Cl

InChI

InChI=1S/C32H25ClN2O2S/c33-29-19-11-10-18-26(29)27-20-32(25-16-8-3-9-17-25,37-31(36)24-14-6-2-7-15-24)35-30(28(27)21-34)38-22-23-12-4-1-5-13-23/h1-19,27,35H,20,22H2