N-(4-aminocarbonylphenyl)-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(4-aminocarbonylphenyl)-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-(4-carbamoylphenyl)-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-(4-carbamoylphenyl)-2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-(4-carbamoylphenyl)-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(4-carbamoylphenyl)-2-[(3,4-dimethylphenyl)thio]nicotinamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S/c1-13-5-10-17(12-14(13)2)27-21-18(4-3-11-23-21)20(26)24-16-8-6-15(7-9-16)19(22)25/h3-12H,1-2H3,(H2,22,25)(H,24,26)