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

Systemtic Name: 2-[[4-azanyl-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(4-amino-5-o-anisyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1CC2=NN=C(N2N)SCC(=O)O

InChI

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