3-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-(4-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)C3=CN=CC=C3

InChI

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