1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-pyrazole-4-carbonitrile Openeye Name: 1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-pyrazole-4-carbonitrile CAS Name: 1-methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]thio]-4-pyrazolecarbonitrile IUPAC Name: 1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazole-4-carbonitrile Traditional Name: 1-methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]thio]pyrazole-4-carbonitrile Formula: C13H7F6N3S MolecularWeight: 351.270199

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C#N)SC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C#N)SC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H7F6N3S/c1-22-11(9(6-20)10(21-22)13(17,18)19)23-8-4-2-3-7(5-8)12(14,15)16/h2-5H,1H3