2,5-bis(bromanyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide

Systemtic Name: 2,5-bis(bromanyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 2,5-dibromo-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide CAS Name: 2,5-dibromo-N-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]benzenesulfonamide IUPAC Name: 2,5-dibromo-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 2,5-dibromo-N-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]benzenesulfonamide Formula: C14H10Br2N4O2S2 MolecularWeight: 490.1928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)Br)Br)SC3=NC=NN3

Isomeric SMILES

C1=CC(=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)Br)Br)SC3=NC=NN3

InChI

InChI=1S/C14H10Br2N4O2S2/c15-9-1-6-12(16)13(7-9)24(21,22)20-10-2-4-11(5-3-10)23-14-17-8-18-19-14/h1-8,20H,(H,17,18,19)