2-(6-acetamidopyridin-3-yl)sulfanyl-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-(6-acetamidopyridin-3-yl)sulfanyl-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(6-acetamido-3-pyridyl)sulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[(6-acetamido-3-pyridinyl)thio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-(6-acetamidopyridin-3-yl)sulfanyl-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(6-acetamido-3-pyridyl)thio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SC3=CN=C(C=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SC3=CN=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C21H20N4O2S/c1-13-9-14(2)11-16(10-13)25-20(27)18-5-4-8-22-21(18)28-17-6-7-19(23-12-17)24-15(3)26/h4-12H,1-3H3,(H,25,27)(H,23,24,26)