ethyl 5-cyano-6-[(5-oxidanylidene-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[(5-oxidanylidene-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(4-isopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[(4-isopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C15H14F3N5O3S MolecularWeight: 401.36357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=NNC(=O)N2C(C)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=NNC(=O)N2C(C)C)C(F)(F)F

InChI

InChI=1S/C15H14F3N5O3S/c1-4-26-12(24)9-5-8(6-19)11(20-10(9)15(16,17)18)27-14-22-21-13(25)23(14)7(2)3/h5,7H,4H2,1-3H3,(H,21,25)