5-(dimethylamino)-3-methylsulfanyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carbonitrile

Systemtic Name: 5-(dimethylamino)-3-methylsulfanyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carbonitrile Openeye Name: 5-(dimethylamino)-3-methylsulfanyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carbonitrile CAS Name: 5-(dimethylamino)-3-(methylthio)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-4-pyrazolecarbonitrile IUPAC Name: 5-(dimethylamino)-3-methylsulfanyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carbonitrile Traditional Name: 5-(dimethylamino)-3-(methylthio)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carbonitrile Formula: C16H17F3N4S MolecularWeight: 354.39319

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=NN1CCC2=CC=C(C=C2)C(F)(F)F)SC)C#N

Isomeric SMILES

CN(C)C1=C(C(=NN1CCC2=CC=C(C=C2)C(F)(F)F)SC)C#N

InChI

InChI=1S/C16H17F3N4S/c1-22(2)15-13(10-20)14(24-3)21-23(15)9-8-11-4-6-12(7-5-11)16(17,18)19/h4-7H,8-9H2,1-3H3