N-[3-[[4-(cyanomethoxy)phenyl]methylsulfanyl]-4-phenyl-1H-pyrazol-5-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[3-[[4-(cyanomethoxy)phenyl]methylsulfanyl]-4-phenyl-1H-pyrazol-5-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-[[4-(cyanomethoxy)phenyl]methylsulfanyl]-4-phenyl-1H-pyrazol-5-yl]-2-nitro-benzenesulfonamide CAS Name: N-[3-[[4-(cyanomethoxy)phenyl]methylthio]-4-phenyl-1H-pyrazol-5-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-[[4-(cyanomethoxy)phenyl]methylsulfanyl]-4-phenyl-1H-pyrazol-5-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-[[4-(cyanomethoxy)benzyl]thio]-4-phenyl-1H-pyrazol-5-yl]-2-nitro-benzenesulfonamide Formula: C24H19N5O5S2 MolecularWeight: 521.56816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(NN=C2SCC3=CC=C(C=C3)OCC#N)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(NN=C2SCC3=CC=C(C=C3)OCC#N)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H19N5O5S2/c25-14-15-34-19-12-10-17(11-13-19)16-35-24-22(18-6-2-1-3-7-18)23(26-27-24)28-36(32,33)21-9-5-4-8-20(21)29(30)31/h1-13H,15-16H2,(H2,26,27,28)