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

Systemtic Name: 2-[[4-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-o-anisyl-1,2,4-triazol-3-yl)thio]acetate Formula: C12H12N3O3S- MolecularWeight: 278.30698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C=NN=C2SCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CN2C=NN=C2SCC(=O)[O-]

InChI

InChI=1S/C12H13N3O3S/c1-18-10-5-3-2-4-9(10)6-15-8-13-14-12(15)19-7-11(16)17/h2-5,8H,6-7H2,1H3,(H,16,17)/p-1