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

Systemtic Name: 4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3OC

InChI

InChI=1S/C18H17N3O3S/c1-21-16(14-5-3-4-6-15(14)24-2)19-20-18(21)25-11-12-7-9-13(10-8-12)17(22)23/h3-10H,11H2,1-2H3,(H,22,23)