N-[3-chloranyl-4-oxidanyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-2,4,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[3-chloranyl-4-oxidanyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[3-chloro-4-hydroxy-5-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[3-chloro-4-hydroxy-5-(1H-1,2,4-triazol-5-ylthio)phenyl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[3-chloro-4-hydroxy-5-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[3-chloro-4-hydroxy-5-(1H-1,2,4-triazol-5-ylthio)phenyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C17H17ClN4O3S2 MolecularWeight: 424.92488

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)Cl)O)SC3=NC=NN3)C

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O3S2/c1-9-4-10(2)16(11(3)5-9)27(24,25)22-12-6-13(18)15(23)14(7-12)26-17-19-8-20-21-17/h4-8,22-23H,1-3H3,(H,19,20,21)