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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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