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

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

CC1=NN=C(N1C2=CC=C(C=C2)Cl)SCCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)Cl)SCCC(=O)O

InChI

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