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

Systemtic Name: 4-[3-(5-bromanylpyridin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Openeye Name: 4-[3-(5-bromo-3-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide CAS Name: 4-[3-(5-bromo-3-pyridinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide IUPAC Name: 4-[3-(5-bromopyridin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Traditional Name: 4-[3-(5-bromo-3-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide Formula: C13H10BrN5O2S2 MolecularWeight: 412.2848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrN5O2S2/c14-9-5-8(6-16-7-9)12-17-18-13(22)19(12)10-1-3-11(4-2-10)23(15,20)21/h1-7H,(H,18,22)(H2,15,20,21)