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

Systemtic Name: 2-[[4-azaniumyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-azaniumyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ammonio-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-azaniumyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-ammonio-5-p-phenetyl-1,2,4-triazol-3-yl)thio]acetate Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2[NH3+])SCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2[NH3+])SCC(=O)[O-]

InChI

InChI=1S/C12H14N4O3S/c1-2-19-9-5-3-8(4-6-9)11-14-15-12(16(11)13)20-7-10(17)18/h3-6H,2,7,13H2,1H3,(H,17,18)