N-(3-acetamidophenyl)-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(3-acetamidophenyl)-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-(3-acetamidophenyl)-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-(3-acetamidophenyl)-2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-(3-acetamidophenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(3-acetamidophenyl)-2-[(2,5-dimethylphenyl)thio]nicotinamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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