4-[1-(cyanomethyl)-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[1-(cyanomethyl)-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[1-(cyanomethyl)-4-(p-tolyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[1-(cyanomethyl)-4-(4-methylphenyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[1-(cyanomethyl)-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[1-(cyanomethyl)-4-(p-tolyl)pyrazol-3-yl]benzenesulfonamide Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N

InChI

InChI=1S/C18H16N4O2S/c1-13-2-4-14(5-3-13)17-12-22(11-10-19)21-18(17)15-6-8-16(9-7-15)25(20,23)24/h2-9,12H,11H2,1H3,(H2,20,23,24)