6-methyl-2-oxidanylidene-N-[(4-sulfanylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 6-methyl-2-oxidanylidene-N-[(4-sulfanylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide Openeye Name: 6-methyl-2-oxo-N-[(4-sulfanylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide CAS Name: N-[(4-mercaptophenyl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 6-methyl-2-oxo-N-[(4-sulfanylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-keto-N-(4-mercaptobenzyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]nicotinamide Formula: C21H17F3N2O2S MolecularWeight: 418.43209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)S

Isomeric SMILES

CC1=CC=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)S

InChI

InChI=1S/C21H17F3N2O2S/c1-13-5-10-18(19(27)25-12-14-6-8-17(29)9-7-14)20(28)26(13)16-4-2-3-15(11-16)21(22,23)24/h2-11,29H,12H2,1H3,(H,25,27)