1-methyl-5-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 1-methyl-5-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 1-methyl-5-(p-tolylsulfonyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 1-methyl-5-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 1-methyl-5-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-methyl-5-tosyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C13H10F3N3O2S MolecularWeight: 329.29761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NN2C)C(F)(F)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NN2C)C(F)(F)F)C#N

InChI

InChI=1S/C13H10F3N3O2S/c1-8-3-5-9(6-4-8)22(20,21)12-10(7-17)11(13(14,15)16)18-19(12)2/h3-6H,1-2H3