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

Systemtic Name: 5-[3-(5-bromanylpyridin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[3-(5-bromo-3-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-2-chloro-benzoic acid CAS Name: 5-[3-(5-bromo-3-pyridinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid IUPAC Name: 5-[3-(5-bromopyridin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid Traditional Name: 5-[3-(5-bromo-3-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-2-chloro-benzoic acid Formula: C14H8BrClN4O2S MolecularWeight: 411.66092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=NNC2=S)C3=CC(=CN=C3)Br)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1N2C(=NNC2=S)C3=CC(=CN=C3)Br)C(=O)O)Cl

InChI

InChI=1S/C14H8BrClN4O2S/c15-8-3-7(5-17-6-8)12-18-19-14(23)20(12)9-1-2-11(16)10(4-9)13(21)22/h1-6H,(H,19,23)(H,21,22)