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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC=C2)C3=CC(=NN3C4=CC=C(C=C4)S(=O)(=O)N)CC#N

Isomeric SMILES

C1=CC(=CC=C1C2=CSC=C2)C3=CC(=NN3C4=CC=C(C=C4)S(=O)(=O)N)CC#N

InChI

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