5-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[3-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-2-chloro-benzoic acid CAS Name: 5-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid IUPAC Name: 5-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid Traditional Name: 5-[3-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-2-chloro-benzoic acid Formula: C15H9BrClN3O2S MolecularWeight: 410.67286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O)Br

InChI

InChI=1S/C15H9BrClN3O2S/c16-9-3-1-8(2-4-9)13-18-19-15(23)20(13)10-5-6-12(17)11(7-10)14(21)22/h1-7H,(H,19,23)(H,21,22)