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

Systemtic Name: 5-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furoate Formula: C9H6F3N4O3S- MolecularWeight: 307.22915

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)[O-])CSC2=NN=C(N2N)C(F)(F)F

Isomeric SMILES

C1=C(OC(=C1)C(=O)[O-])CSC2=NN=C(N2N)C(F)(F)F

InChI

InChI=1S/C9H7F3N4O3S/c10-9(11,12)7-14-15-8(16(7)13)20-3-4-1-2-5(19-4)6(17)18/h1-2H,3,13H2,(H,17,18)/p-1