methyl 1-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrazole-3-carboxylate CAS Name: 1-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrazole-3-carboxylate Traditional Name: 1-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]pyrazole-3-carboxylic acid methyl ester Formula: C9H9F3N6O2S MolecularWeight: 322.26697

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1)CSC2=NN=C(N2N)C(F)(F)F

Isomeric SMILES

COC(=O)C1=NN(C=C1)CSC2=NN=C(N2N)C(F)(F)F

InChI

InChI=1S/C9H9F3N6O2S/c1-20-6(19)5-2-3-17(16-5)4-21-8-15-14-7(18(8)13)9(10,11)12/h2-3H,4,13H2,1H3