4-[4-(cyanomethyl)-3-(4-thiophen-2-ylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

Systemtic Name: 4-[4-(cyanomethyl)-3-(4-thiophen-2-ylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide Openeye Name: 4-[4-(cyanomethyl)-3-[4-(2-thienyl)phenyl]-1H-pyrazol-5-yl]benzenesulfonamide CAS Name: 4-[4-(cyanomethyl)-3-(4-thiophen-2-ylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide IUPAC Name: 4-[4-(cyanomethyl)-3-(4-thiophen-2-ylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide Traditional Name: 4-[4-(cyanomethyl)-3-[4-(2-thienyl)phenyl]-1H-pyrazol-5-yl]benzenesulfonamide Formula: C21H16N4O2S2 MolecularWeight: 420.50734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC=C(C=C2)C3=NNC(=C3CC#N)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CSC(=C1)C2=CC=C(C=C2)C3=NNC(=C3CC#N)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H16N4O2S2/c22-12-11-18-20(15-5-3-14(4-6-15)19-2-1-13-28-19)24-25-21(18)16-7-9-17(10-8-16)29(23,26)27/h1-10,13H,11H2,(H,24,25)(H2,23,26,27)