1-methyl-5-(phenylsulfonyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 1-methyl-5-(phenylsulfonyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(benzenesulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(benzenesulfonyl)-1-methyl-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(benzenesulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-besyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C12H8F3N3O2S MolecularWeight: 315.27103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8F3N3O2S/c1-18-11(9(7-16)10(17-18)12(13,14)15)21(19,20)8-5-3-2-4-6-8/h2-6H,1H3