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

Systemtic Name: 2-[[2-(4-chlorophenyl)-5-ethanoyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-acetyl-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-acetyl-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-acetyl-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-acetyl-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H10ClN3O3S MolecularWeight: 311.7441

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(=N1)SCC(=O)O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)C1=NN(C(=N1)SCC(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H10ClN3O3S/c1-7(17)11-14-12(20-6-10(18)19)16(15-11)9-4-2-8(13)3-5-9/h2-5H,6H2,1H3,(H,18,19)