N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]-4-fluorobenzenesulfonamide Traditional Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorobenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-fluoro-benzenesulfonamide Formula: C29H22Cl2F2N4O2S2 MolecularWeight: 631.543386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)SCC4=CC=C(C=C4)F)NS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)SCC4=CC=C(C=C4)F)NS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H22Cl2F2N4O2S2/c30-21-8-15-27(25(31)17-21)37-28(34-35-29(37)40-18-20-6-9-22(32)10-7-20)26(16-19-4-2-1-3-5-19)36-41(38,39)24-13-11-23(33)12-14-24/h1-15,17,26,36H,16,18H2