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

Systemtic Name: 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C18H16N3O4S- MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c1-24-14-7-3-12(4-8-14)17-19-20-18(26-11-16(22)23)21(17)13-5-9-15(25-2)10-6-13/h3-10H,11H2,1-2H3,(H,22,23)/p-1