6-[(4-chlorophenyl)methylsulfanyl]-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 6-[(4-chlorophenyl)methylsulfanyl]-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(4-benzyloxyphenyl)-6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 6-[(4-chlorophenyl)methylthio]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(4-benzoxyphenyl)-6-[(4-chlorobenzyl)thio]-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C26H21ClN2O2S MolecularWeight: 460.97514

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C(C(=C(NC1=O)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H21ClN2O2S/c27-21-10-6-19(7-11-21)17-32-26-24(15-28)23(14-25(30)29-26)20-8-12-22(13-9-20)31-16-18-4-2-1-3-5-18/h1-13,23H,14,16-17H2,(H,29,30)