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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)CCC(=O)O)C3=CC=CC=C3

InChI

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