1-methyl-5-[(2-methylphenyl)methylsulfonyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 1-methyl-5-[(2-methylphenyl)methylsulfonyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 1-methyl-5-(o-tolylmethylsulfonyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 1-methyl-5-[(2-methylphenyl)methylsulfonyl]-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 1-methyl-5-[(2-methylphenyl)methylsulfonyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-methyl-5-(2-methylbenzyl)sulfonyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C14H12F3N3O2S MolecularWeight: 343.32419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)C2=C(C(=NN2C)C(F)(F)F)C#N

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)C2=C(C(=NN2C)C(F)(F)F)C#N

InChI

InChI=1S/C14H12F3N3O2S/c1-9-5-3-4-6-10(9)8-23(21,22)13-11(7-18)12(14(15,16)17)19-20(13)2/h3-6H,8H2,1-2H3