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

Systemtic Name: 4-[3-(5-bromanylpyridin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-(5-bromo-3-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-(5-bromo-3-pyridinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-(5-bromopyridin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-(5-bromo-3-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C14H9BrN4O2S MolecularWeight: 377.21586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=NNC2=S)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=NNC2=S)C3=CC(=CN=C3)Br

InChI

InChI=1S/C14H9BrN4O2S/c15-10-5-9(6-16-7-10)12-17-18-14(22)19(12)11-3-1-8(2-4-11)13(20)21/h1-7H,(H,18,22)(H,20,21)