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

Systemtic Name: 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyrazole-3-carbonitrile Openeye Name: 2-benzyl-5-(4-methylsulfonylphenyl)-4-(p-tolyl)pyrazole-3-carbonitrile CAS Name: 4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyrazolecarbonitrile IUPAC Name: 2-benzyl-4-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Traditional Name: 2-benzyl-5-(4-mesylphenyl)-4-(p-tolyl)pyrazole-3-carbonitrile Formula: C25H21N3O2S MolecularWeight: 427.51814

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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)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H21N3O2S/c1-18-8-10-20(11-9-18)24-23(16-26)28(17-19-6-4-3-5-7-19)27-25(24)21-12-14-22(15-13-21)31(2,29)30/h3-15H,17H2,1-2H3