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

Systemtic Name: N-(4-chlorophenyl)-3-[5-[(4-nitrophenyl)methylsulfanyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N-(4-chlorophenyl)-3-[5-[(4-nitrophenyl)methylsulfanyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N-(4-chlorophenyl)-3-[5-[(4-nitrophenyl)methylthio]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N-(4-chlorophenyl)-3-[5-[(4-nitrophenyl)methylsulfanyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N-(4-chlorophenyl)-3-[5-[(4-nitrobenzyl)thio]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C28H19ClF3N5O4S2 MolecularWeight: 646.05977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)C3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl)C3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H19ClF3N5O4S2/c29-21-9-11-22(12-10-21)35-43(40,41)25-6-1-3-19(15-25)26-33-34-27(42-17-18-7-13-23(14-8-18)37(38)39)36(26)24-5-2-4-20(16-24)28(30,31)32/h1-16,35H,17H2