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

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetic acid Formula: C10H8ClN3O2S MolecularWeight: 269.70742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=S)N2CC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=S)N2CC(=O)O)Cl

InChI

InChI=1S/C10H8ClN3O2S/c11-7-3-1-6(2-4-7)9-12-13-10(17)14(9)5-8(15)16/h1-4H,5H2,(H,13,17)(H,15,16)