methyl 5-azanyl-1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,4-triazole-3-carboxylate Openeye Name: methyl 5-amino-1-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,4-triazole-3-carboxylate CAS Name: 5-amino-1-[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,4-triazole-3-carboxylate Traditional Name: 5-amino-1-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C13H9F3N6O2S MolecularWeight: 370.30977

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=N1)N)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=NN(C(=N1)N)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C13H9F3N6O2S/c1-24-10(23)9-20-11(17)22(21-9)12-18-6(7-3-2-4-25-7)5-8(19-12)13(14,15)16/h2-5H,1H3,(H2,17,20,21)