2-[(2-aminocarbonylpyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(2-aminocarbonylpyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-carbamoyl-4-pyridyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[(2-carbamoyl-4-pyridinyl)methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-carbamoylpyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-carbamoyl-4-pyridyl)methylthio]-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)SCC3=CC(=NC=C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)C(=O)N)C

InChI

InChI=1S/C21H20N4O2S/c1-13-8-14(2)10-16(9-13)25-20(27)17-4-3-6-24-21(17)28-12-15-5-7-23-18(11-15)19(22)26/h3-11H,12H2,1-2H3,(H2,22,26)(H,25,27)