3-[[5-sulfanylidene-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]methyl]benzoate

Systemtic Name: 3-[[5-sulfanylidene-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]methyl]benzoate Openeye Name: 3-[[5-thioxo-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]methyl]benzoate CAS Name: 3-[[5-sulfanylidene-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]methyl]benzoate IUPAC Name: 3-[[5-sulfanylidene-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]methyl]benzoate Traditional Name: 3-[[5-thioxo-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]methyl]benzoate Formula: C19H18N3O5S- MolecularWeight: 400.42832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C19H19N3O5S/c1-25-14-8-13(9-15(26-2)16(14)27-3)17-20-21-19(28)22(17)10-11-5-4-6-12(7-11)18(23)24/h4-9H,10H2,1-3H3,(H,21,28)(H,23,24)/p-1