N-(3-chloranyl-4-methyl-phenyl)-2-[[5-cyano-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[[5-cyano-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-benzyloxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(4-benzoxyphenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C28H24ClN3O3S MolecularWeight: 518.02646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N)Cl

InChI

InChI=1S/C28H24ClN3O3S/c1-18-7-10-21(13-25(18)29)31-27(34)17-36-28-24(15-30)23(14-26(33)32-28)20-8-11-22(12-9-20)35-16-19-5-3-2-4-6-19/h2-13,23H,14,16-17H2,1H3,(H,31,34)(H,32,33)