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

Systemtic Name: 4-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C17H16N4O2S MolecularWeight: 340.39954

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2S/c1-21-15(12-6-8-14(18)9-7-12)19-20-17(21)24-10-11-2-4-13(5-3-11)16(22)23/h2-9H,10,18H2,1H3,(H,22,23)