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

Systemtic Name: 3-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2S/c1-9-3-5-11(6-4-9)16-10(2)14-15-13(16)19-8-7-12(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)