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

Systemtic Name: N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[1-[5-[(4-fluorophenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[1-[5-[(4-fluorobenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Formula: C30H26FN5O4S2 MolecularWeight: 603.686943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])SCC5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])SCC5=CC=C(C=C5)F

InChI

InChI=1S/C30H26FN5O4S2/c1-21-7-17-27(18-8-21)42(39,40)34-28(19-22-5-3-2-4-6-22)29-32-33-30(41-20-23-9-11-24(31)12-10-23)35(29)25-13-15-26(16-14-25)36(37)38/h2-18,28,34H,19-20H2,1H3