3-(4-methylphenyl)-5-methylsulfonyl-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-(4-methylphenyl)-5-methylsulfonyl-1H-pyrazole-4-carbonitrile Openeye Name: 5-methylsulfonyl-3-(p-tolyl)-1H-pyrazole-4-carbonitrile CAS Name: 3-(4-methylphenyl)-5-methylsulfonyl-1H-pyrazole-4-carbonitrile IUPAC Name: 3-(4-methylphenyl)-5-methylsulfonyl-1H-pyrazole-4-carbonitrile Traditional Name: 5-mesyl-3-(p-tolyl)-1H-pyrazole-4-carbonitrile Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2C#N)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2C#N)S(=O)(=O)C

InChI

InChI=1S/C12H11N3O2S/c1-8-3-5-9(6-4-8)11-10(7-13)12(15-14-11)18(2,16)17/h3-6H,1-2H3,(H,14,15)