4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole

Systemtic Name: 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole Openeye Name: 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole CAS Name: 4-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole IUPAC Name: 4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole Traditional Name: 4-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-1-propargyl-5-(trifluoromethyl)pyrazole Formula: C20H14F4N2S MolecularWeight: 390.397173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)F)C(F)(F)F)CC#C

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)F)C(F)(F)F)CC#C

InChI

InChI=1S/C20H14F4N2S/c1-3-12-26-19(20(22,23)24)17(13-4-8-15(21)9-5-13)18(25-26)14-6-10-16(27-2)11-7-14/h1,4-11H,12H2,2H3