N-[3-bromanyl-4-oxidanyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-4-ethyl-benzenesulfonamide

Systemtic Name: N-[3-bromanyl-4-oxidanyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-4-ethyl-benzenesulfonamide Openeye Name: N-[3-bromo-4-hydroxy-5-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-4-ethyl-benzenesulfonamide CAS Name: N-[3-bromo-4-hydroxy-5-(1H-1,2,4-triazol-5-ylthio)phenyl]-4-ethylbenzenesulfonamide IUPAC Name: N-[3-bromo-4-hydroxy-5-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-4-ethylbenzenesulfonamide Traditional Name: N-[3-bromo-4-hydroxy-5-(1H-1,2,4-triazol-5-ylthio)phenyl]-4-ethyl-benzenesulfonamide Formula: C16H15BrN4O3S2 MolecularWeight: 455.3493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2)Br)O)SC3=NC=NN3

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2)Br)O)SC3=NC=NN3

InChI

InChI=1S/C16H15BrN4O3S2/c1-2-10-3-5-12(6-4-10)26(23,24)21-11-7-13(17)15(22)14(8-11)25-16-18-9-19-20-16/h3-9,21-22H,2H2,1H3,(H,18,19,20)