4-(4-butoxyphenyl)-5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 4-(4-butoxyphenyl)-5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]-N-phenyl-pyridine-3-carboxamide Openeye Name: 4-(4-butoxyphenyl)-5-cyano-2-methyl-6-(o-tolylmethylsulfanyl)-N-phenyl-pyridine-3-carboxamide CAS Name: 4-(4-butoxyphenyl)-5-cyano-2-methyl-6-[(2-methylphenyl)methylthio]-N-phenyl-3-pyridinecarboxamide IUPAC Name: 4-(4-butoxyphenyl)-5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]-N-phenylpyridine-3-carboxamide Traditional Name: 4-(4-butoxyphenyl)-5-cyano-2-methyl-6-[(2-methylbenzyl)thio]-N-phenyl-nicotinamide Formula: C32H31N3O2S MolecularWeight: 521.67244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C(=O)NC3=CC=CC=C3)C)SCC4=CC=CC=C4C)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C(=O)NC3=CC=CC=C3)C)SCC4=CC=CC=C4C)C#N

InChI

InChI=1S/C32H31N3O2S/c1-4-5-19-37-27-17-15-24(16-18-27)30-28(20-33)32(38-21-25-12-10-9-11-22(25)2)34-23(3)29(30)31(36)35-26-13-7-6-8-14-26/h6-18H,4-5,19,21H2,1-3H3,(H,35,36)