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

Systemtic Name: 4-[5-sulfanylidene-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]benzoate Openeye Name: 4-[5-thioxo-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 4-[5-sulfanylidene-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 4-[5-sulfanylidene-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]benzoate Traditional Name: 4-[5-thioxo-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]benzoate Formula: C18H16N3O5S- MolecularWeight: 386.40174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c1-24-13-8-11(9-14(25-2)15(13)26-3)16-19-20-18(27)21(16)12-6-4-10(5-7-12)17(22)23/h4-9H,1-3H3,(H,20,27)(H,22,23)/p-1