2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine Openeye Name: 2-[[5-(p-tolyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine CAS Name: 2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]thio]-5-(trifluoromethyl)pyridine IUPAC Name: 2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine Traditional Name: 2-[[5-(p-tolyl)-1H-pyrazol-4-yl]thio]-5-(trifluoromethyl)pyridine Formula: C16H12F3N3S MolecularWeight: 335.34679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)SC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)SC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3N3S/c1-10-2-4-11(5-3-10)15-13(9-21-22-15)23-14-7-6-12(8-20-14)16(17,18)19/h2-9H,1H3,(H,21,22)