N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-1-phenyl-methanesulfonamide Openeye Name: N-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-1-phenyl-methanesulfonamide CAS Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]-1-phenylmethanesulfonamide IUPAC Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]-1-phenylmethanesulfonamide Traditional Name: N-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(4-fluorobenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-1-phenyl-methanesulfonamide Formula: C31H28ClFN4O2S2 MolecularWeight: 607.161023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=C(C=C3)F)C(CC4=CC=CC=C4)NS(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=C(C=C3)F)C(CC4=CC=CC=C4)NS(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H28ClFN4O2S2/c1-22-12-15-26(32)19-29(22)37-30(34-35-31(37)40-20-24-13-16-27(33)17-14-24)28(18-23-8-4-2-5-9-23)36-41(38,39)21-25-10-6-3-7-11-25/h2-17,19,28,36H,18,20-21H2,1H3