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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S/c1-7-3-5-9(6-4-7)10-13-12(15-14-10)18-8(2)11(16)17/h3-6,8H,1-2H3,(H,16,17)(H,13,14,15)