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

Systemtic Name: 5-bromanyl-3-ethylsulfanyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile Openeye Name: 5-bromo-3-ethylsulfanyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile CAS Name: 5-bromo-3-(ethylthio)-1-[[4-(trifluoromethyl)phenyl]methyl]-4-pyrazolecarbonitrile IUPAC Name: 5-bromo-3-ethylsulfanyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile Traditional Name: 5-bromo-3-(ethylthio)-1-[4-(trifluoromethyl)benzyl]pyrazole-4-carbonitrile Formula: C14H11BrF3N3S MolecularWeight: 390.22145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN(C(=C1C#N)Br)CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCSC1=NN(C(=C1C#N)Br)CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H11BrF3N3S/c1-2-22-13-11(7-19)12(15)21(20-13)8-9-3-5-10(6-4-9)14(16,17)18/h3-6H,2,8H2,1H3