N-[(2-pentan-2-ylphenyl)carbamothioyl]-6-(trifluoromethyl)pyridine-3-carboxamide

Systemtic Name: N-[(2-pentan-2-ylphenyl)carbamothioyl]-6-(trifluoromethyl)pyridine-3-carboxamide Openeye Name: N-[[2-(1-methylbutyl)phenyl]carbamothioyl]-6-(trifluoromethyl)pyridine-3-carboxamide CAS Name: N-[(2-pentan-2-ylanilino)-sulfanylidenemethyl]-6-(trifluoromethyl)-3-pyridinecarboxamide IUPAC Name: N-[(2-pentan-2-ylphenyl)carbamothioyl]-6-(trifluoromethyl)pyridine-3-carboxamide Traditional Name: N-[[2-(1-methylbutyl)phenyl]thiocarbamoyl]-6-(trifluoromethyl)nicotinamide Formula: C19H20F3N3OS MolecularWeight: 395.44181

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CN=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CN=C(C=C2)C(F)(F)F

InChI

InChI=1S/C19H20F3N3OS/c1-3-6-12(2)14-7-4-5-8-15(14)24-18(27)25-17(26)13-9-10-16(23-11-13)19(20,21)22/h4-5,7-12H,3,6H2,1-2H3,(H2,24,25,26,27)