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

Systemtic Name: N-[1-[4-(2,4-dichlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[1-[4-(2,4-dichlorophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-2-phenylethyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-4-fluorobenzenesulfonamide Traditional Name: N-[1-[5-(benzylthio)-4-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-fluoro-benzenesulfonamide Formula: C29H23Cl2FN4O2S2 MolecularWeight: 613.552923

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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=CC=C4)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=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H23Cl2FN4O2S2/c30-22-11-16-27(25(31)18-22)36-28(33-34-29(36)39-19-21-9-5-2-6-10-21)26(17-20-7-3-1-4-8-20)35-40(37,38)24-14-12-23(32)13-15-24/h1-16,18,26,35H,17,19H2