2-(3,4-dimethylphenyl)sulfanyl-N-[(3-fluoranyl-4-methyl-phenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(3-fluoranyl-4-methyl-phenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(3-fluoro-4-methyl-phenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[(3-fluoro-4-methylphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-(3-fluoro-4-methyl-benzyl)nicotinamide Formula: C22H21FN2OS MolecularWeight: 380.478343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC(=C(C=C3)C)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC(=C(C=C3)C)F)C

InChI

InChI=1S/C22H21FN2OS/c1-14-7-9-18(11-16(14)3)27-22-19(5-4-10-24-22)21(26)25-13-17-8-6-15(2)20(23)12-17/h4-12H,13H2,1-3H3,(H,25,26)