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

Systemtic Name: 5-(dimethylamino)-3-methylsulfanyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile Openeye Name: 5-(dimethylamino)-3-methylsulfanyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile CAS Name: 5-(dimethylamino)-3-(methylthio)-1-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrazolecarbonitrile IUPAC Name: 5-(dimethylamino)-3-methylsulfanyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile Traditional Name: 5-(dimethylamino)-3-(methylthio)-1-[3-(trifluoromethyl)benzyl]pyrazole-4-carbonitrile Formula: C15H15F3N4S MolecularWeight: 340.36661

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=NN1CC2=CC(=CC=C2)C(F)(F)F)SC)C#N

Isomeric SMILES

CN(C)C1=C(C(=NN1CC2=CC(=CC=C2)C(F)(F)F)SC)C#N

InChI

InChI=1S/C15H15F3N4S/c1-21(2)14-12(8-19)13(23-3)20-22(14)9-10-5-4-6-11(7-10)15(16,17)18/h4-7H,9H2,1-3H3