2-[[4-azaniumyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-azaniumyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-azaniumyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ammonio-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-azaniumyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ammonio-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2[NH3+])SCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2[NH3+])SCC(=O)[O-]

InChI

InChI=1S/C11H12N4O2S/c1-7-2-4-8(5-3-7)10-13-14-11(15(10)12)18-6-9(16)17/h2-5H,6,12H2,1H3,(H,16,17)