6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-pyridin-3-yl-pyridine-3-carboxamide

Systemtic Name: 6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-pyridin-3-yl-pyridine-3-carboxamide Openeye Name: 6-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-N-(o-tolyl)-4-(3-pyridyl)pyridine-3-carboxamide CAS Name: 6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-cyano-2-methyl-N-(2-methylphenyl)-4-(3-pyridinyl)-3-pyridinecarboxamide IUPAC Name: 6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-pyridin-3-ylpyridine-3-carboxamide Traditional Name: 6-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-5-cyano-2-methyl-N-(o-tolyl)-4-(3-pyridyl)nicotinamide Formula: C28H21ClN4O2S MolecularWeight: 513.00994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CN=CC=C3)C#N)SCC(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CN=CC=C3)C#N)SCC(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C28H21ClN4O2S/c1-17-6-3-4-8-23(17)33-27(35)25-18(2)32-28(22(14-30)26(25)20-7-5-13-31-15-20)36-16-24(34)19-9-11-21(29)12-10-19/h3-13,15H,16H2,1-2H3,(H,33,35)