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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCCC(=O)O

InChI

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