5-oxidanyl-N-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-oxidanyl-N-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-hydroxy-N-[[4-isopropoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 5-hydroxy-N-[[4-propan-2-yloxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-hydroxy-N-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-hydroxy-N-[[4-isopropoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]nicotinamide Formula: C17H16F3N3O3S MolecularWeight: 399.38745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)O)C(F)(F)F

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)O)C(F)(F)F

InChI

InChI=1S/C17H16F3N3O3S/c1-9(2)26-14-4-3-11(6-13(14)17(18,19)20)22-16(27)23-15(25)10-5-12(24)8-21-7-10/h3-9,24H,1-2H3,(H2,22,23,25,27)