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

Systemtic Name: 2,5-dimethyl-N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide Openeye Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylthio)phenyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylthio)phenyl]-2,5-dimethyl-benzenesulfonamide Formula: C16H16N4O3S2 MolecularWeight: 376.45324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3

InChI

InChI=1S/C16H16N4O3S2/c1-10-3-4-11(2)15(7-10)25(22,23)20-12-5-6-13(21)14(8-12)24-16-17-9-18-19-16/h3-9,20-21H,1-2H3,(H,17,18,19)