2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile

Systemtic Name: 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Openeye Name: 2-(cyanomethyl)-5-(4-methylsulfonylphenyl)-4-(p-tolyl)pyrazole-3-carbonitrile CAS Name: 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarbonitrile IUPAC Name: 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Traditional Name: 2-(cyanomethyl)-5-(4-mesylphenyl)-4-(p-tolyl)pyrazole-3-carbonitrile Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O2S/c1-14-3-5-15(6-4-14)19-18(13-22)24(12-11-21)23-20(19)16-7-9-17(10-8-16)27(2,25)26/h3-10H,12H2,1-2H3