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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H12N3O3S- MolecularWeight: 278.30698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C12H13N3O3S/c1-15-11(8-3-5-9(18-2)6-4-8)13-14-12(15)19-7-10(16)17/h3-6H,7H2,1-2H3,(H,16,17)/p-1