ethyl 4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-2-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]-2-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H10F3N5O2S2 MolecularWeight: 401.38671

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SC2=NNC(=N2)C3=CC=CS3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SC2=NNC(=N2)C3=CC=CS3)C(F)(F)F

InChI

InChI=1S/C14H10F3N5O2S2/c1-2-24-11(23)7-6-18-12(14(15,16)17)20-10(7)26-13-19-9(21-22-13)8-4-3-5-25-8/h3-6H,2H2,1H3,(H,19,21,22)