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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C#N)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C#N)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H10F3N3O2S/c1-19-12(10(7-17)11(18-19)13(14,15)16)22(20,21)8-9-5-3-2-4-6-9/h2-6H,8H2,1H3