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

Systemtic Name: 2-[[4-azaniumyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-azaniumyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ammonio-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-azaniumyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ammonio-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2[NH3+])SCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2[NH3+])SCC(=O)[O-]

InChI

InChI=1S/C11H12N4O3S/c1-18-8-4-2-3-7(5-8)10-13-14-11(15(10)12)19-6-9(16)17/h2-5H,6,12H2,1H3,(H,16,17)