5-cyano-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-cyano-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-cyano-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 5-cyano-N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-cyano-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]-5-cyano-nicotinamide Formula: C20H19F3N4O2S MolecularWeight: 436.45067

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN=CC(=C2)C#N)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN=CC(=C2)C#N)C(F)(F)F

InChI

InChI=1S/C20H19F3N4O2S/c1-2-3-4-7-29-17-6-5-15(9-16(17)20(21,22)23)26-19(30)27-18(28)14-8-13(10-24)11-25-12-14/h5-6,8-9,11-12H,2-4,7H2,1H3,(H2,26,27,28,30)