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

Systemtic Name: 2-[[4-azanyl-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-amino-5-m-anisyl-1,2,4-triazol-3-yl)thio]acetate Formula: C12H13N4O3S- MolecularWeight: 293.32162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CC2=NN=C(N2N)SCC(=O)[O-]

InChI

InChI=1S/C12H14N4O3S/c1-19-9-4-2-3-8(5-9)6-10-14-15-12(16(10)13)20-7-11(17)18/h2-5H,6-7,13H2,1H3,(H,17,18)/p-1