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

Systemtic Name: 2-phenyl-2-[5-sulfanylidene-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-phenyl-2-[5-thioxo-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-phenyl-2-[5-sulfanylidene-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-phenyl-2-[5-sulfanylidene-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-phenyl-2-[5-thioxo-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-yl]acetic acid Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2C(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2C(C3=CC=CC=C3)C(=O)O

InChI

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