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

Systemtic Name: 3-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionate Formula: C12H11ClN3O2S- MolecularWeight: 296.75264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)[O-])C2=CC(=CC=C2)Cl

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)[O-])C2=CC(=CC=C2)Cl

InChI

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