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

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C12H12ClN3O2S MolecularWeight: 297.76058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H12ClN3O2S/c1-16-11(8-2-4-9(13)5-3-8)14-15-12(16)19-7-6-10(17)18/h2-5H,6-7H2,1H3,(H,17,18)