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

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[4-(methylcarbamoyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[4-(methylcarbamoyl)phenyl]nicotinamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C(=O)NC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C(=O)NC)C

InChI

InChI=1S/C22H21N3O2S/c1-14-6-11-18(13-15(14)2)28-22-19(5-4-12-24-22)21(27)25-17-9-7-16(8-10-17)20(26)23-3/h4-13H,1-3H3,(H,23,26)(H,25,27)