5-cyano-4-(3-fluorophenyl)-2-methyl-N-(2-methylphenyl)-6-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: 5-cyano-4-(3-fluorophenyl)-2-methyl-N-(2-methylphenyl)-6-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 6-benzylsulfanyl-5-cyano-4-(3-fluorophenyl)-2-methyl-N-(o-tolyl)pyridine-3-carboxamide CAS Name: 5-cyano-4-(3-fluorophenyl)-2-methyl-N-(2-methylphenyl)-6-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: 6-benzylsulfanyl-5-cyano-4-(3-fluorophenyl)-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide Traditional Name: 6-(benzylthio)-5-cyano-4-(3-fluorophenyl)-2-methyl-N-(o-tolyl)nicotinamide Formula: C28H22FN3OS MolecularWeight: 467.557183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC(=CC=C3)F)C#N)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC(=CC=C3)F)C#N)SCC4=CC=CC=C4)C

InChI

InChI=1S/C28H22FN3OS/c1-18-9-6-7-14-24(18)32-27(33)25-19(2)31-28(34-17-20-10-4-3-5-11-20)23(16-30)26(25)21-12-8-13-22(29)15-21/h3-15H,17H2,1-2H3,(H,32,33)