N-(2-chlorophenyl)-3-[5-(2-cyanoethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N-(2-chlorophenyl)-3-[5-(2-cyanoethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N-(2-chlorophenyl)-3-[5-(2-cyanoethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N-(2-chlorophenyl)-3-[5-(2-cyanoethylthio)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N-(2-chlorophenyl)-3-[5-(2-cyanoethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N-(2-chlorophenyl)-3-[5-(2-cyanoethylthio)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C23H18ClN5O2S2 MolecularWeight: 496.00432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC#N)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC#N)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C23H18ClN5O2S2/c24-20-12-4-5-13-21(20)28-33(30,31)19-11-6-8-17(16-19)22-26-27-23(32-15-7-14-25)29(22)18-9-2-1-3-10-18/h1-6,8-13,16,28H,7,15H2