2-[[4-azanyl-5-(3-fluoranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-azanyl-5-(3-fluoranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(3-fluoro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(3-fluoro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C11H10FN4O2S- MolecularWeight: 281.286103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)[O-])F

InChI

InChI=1S/C11H11FN4O2S/c1-6-2-3-7(4-8(6)12)10-14-15-11(16(10)13)19-5-9(17)18/h2-4H,5,13H2,1H3,(H,17,18)/p-1