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

Systemtic Name: ethyl 6-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 6-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-5-cyano-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-5-cyano-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C16H16F3N5O2S MolecularWeight: 399.39075

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=NNC(=N2)C(C)(C)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=NNC(=N2)C(C)(C)C)C(F)(F)F

InChI

InChI=1S/C16H16F3N5O2S/c1-5-26-12(25)9-6-8(7-20)11(21-10(9)16(17,18)19)27-14-22-13(23-24-14)15(2,3)4/h6H,5H2,1-4H3,(H,22,23,24)