N-[4-(4-cyanopyridin-2-yl)-3-[(4-phenylphenyl)methylsulfanyl]-1H-pyrazol-5-yl]benzenesulfonamide

Systemtic Name: N-[4-(4-cyanopyridin-2-yl)-3-[(4-phenylphenyl)methylsulfanyl]-1H-pyrazol-5-yl]benzenesulfonamide Openeye Name: N-[4-(4-cyano-2-pyridyl)-3-[(4-phenylphenyl)methylsulfanyl]-1H-pyrazol-5-yl]benzenesulfonamide CAS Name: N-[4-(4-cyano-2-pyridinyl)-3-[(4-phenylphenyl)methylthio]-1H-pyrazol-5-yl]benzenesulfonamide IUPAC Name: N-[4-(4-cyanopyridin-2-yl)-3-[(4-phenylphenyl)methylsulfanyl]-1H-pyrazol-5-yl]benzenesulfonamide Traditional Name: N-[4-(4-cyano-2-pyridyl)-3-[(4-phenylbenzyl)thio]-1H-pyrazol-5-yl]benzenesulfonamide Formula: C28H21N5O2S2 MolecularWeight: 523.62864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CSC3=NNC(=C3C4=NC=CC(=C4)C#N)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CSC3=NNC(=C3C4=NC=CC(=C4)C#N)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H21N5O2S2/c29-18-21-15-16-30-25(17-21)26-27(33-37(34,35)24-9-5-2-6-10-24)31-32-28(26)36-19-20-11-13-23(14-12-20)22-7-3-1-4-8-22/h1-17H,19H2,(H2,31,32,33)