4-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H19N3O4S/c1-22-17(14-8-9-15(25-2)16(10-14)26-3)20-21-19(22)27-11-12-4-6-13(7-5-12)18(23)24/h4-10H,11H2,1-3H3,(H,23,24)