2-chloranyl-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 2-chloranyl-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoyl]nicotinamide Formula: C13H12ClN5OS MolecularWeight: 321.78528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=C(N=CC=C2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=C(N=CC=C2)Cl)C

InChI

InChI=1S/C13H12ClN5OS/c1-7-6-8(2)17-12(16-7)19-13(21)18-11(20)9-4-3-5-15-10(9)14/h3-6H,1-2H3,(H2,16,17,18,19,20,21)