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

Systemtic Name: 5-bromanyl-3-methylsulfanyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile Openeye Name: 5-bromo-3-methylsulfanyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile CAS Name: 5-bromo-3-(methylthio)-1-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrazolecarbonitrile IUPAC Name: 5-bromo-3-methylsulfanyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile Traditional Name: 5-bromo-3-(methylthio)-1-[3-(trifluoromethyl)benzyl]pyrazole-4-carbonitrile Formula: C13H9BrF3N3S MolecularWeight: 376.19487

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)Br)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CSC1=NN(C(=C1C#N)Br)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H9BrF3N3S/c1-21-12-10(6-18)11(14)20(19-12)7-8-3-2-4-9(5-8)13(15,16)17/h2-5H,7H2,1H3