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

Systemtic Name: 3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanoic acid Openeye Name: 3-phenyl-3-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-phenylpropanoic acid IUPAC Name: 3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-phenylpropanoic acid Traditional Name: 3-phenyl-3-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-12-7-9-14(10-8-12)17-19-18(21-20-17)24-15(11-16(22)23)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,22,23)(H,19,20,21)