N-(2-cyanopropan-2-ylcarbamothioyl)-4-(trifluoromethyl)pyridine-3-carboxamide

Systemtic Name: N-(2-cyanopropan-2-ylcarbamothioyl)-4-(trifluoromethyl)pyridine-3-carboxamide Openeye Name: N-[(1-cyano-1-methyl-ethyl)carbamothioyl]-4-(trifluoromethyl)pyridine-3-carboxamide CAS Name: N-[(2-cyanopropan-2-ylamino)-sulfanylidenemethyl]-4-(trifluoromethyl)-3-pyridinecarboxamide IUPAC Name: N-(2-cyanopropan-2-ylcarbamothioyl)-4-(trifluoromethyl)pyridine-3-carboxamide Traditional Name: N-[(1-cyano-1-methyl-ethyl)thiocarbamoyl]-4-(trifluoromethyl)nicotinamide Formula: C12H11F3N4OS MolecularWeight: 316.30215

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)NC(=S)NC(=O)C1=C(C=CN=C1)C(F)(F)F

Isomeric SMILES

CC(C)(C#N)NC(=S)NC(=O)C1=C(C=CN=C1)C(F)(F)F

InChI

InChI=1S/C12H11F3N4OS/c1-11(2,6-16)19-10(21)18-9(20)7-5-17-4-3-8(7)12(13,14)15/h3-5H,1-2H3,(H2,18,19,20,21)