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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-benzyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methoxyphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-benzyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-benzyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C18H16N3O3S- MolecularWeight: 354.40294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-24-15-9-7-14(8-10-15)17-19-20-18(25-12-16(22)23)21(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,22,23)/p-1