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

Systemtic Name: 2-[[4-azanyl-5-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C12H13N4O2S- MolecularWeight: 277.32222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O2S/c1-7-3-8(2)5-9(4-7)11-14-15-12(16(11)13)19-6-10(17)18/h3-5H,6,13H2,1-2H3,(H,17,18)/p-1