4-[2,6-bis(trifluoromethyl)pyridin-4-yl]sulfanylaniline

Systemtic Name: 4-[2,6-bis(trifluoromethyl)pyridin-4-yl]sulfanylaniline Openeye Name: 4-[[2,6-bis(trifluoromethyl)-4-pyridyl]sulfanyl]aniline CAS Name: 4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]thio]aniline IUPAC Name: 4-[2,6-bis(trifluoromethyl)pyridin-4-yl]sulfanylaniline Traditional Name: [4-[[2,6-bis(trifluoromethyl)-4-pyridyl]thio]phenyl]amine Formula: C13H8F6N2S MolecularWeight: 338.271439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)SC2=CC(=NC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1N)SC2=CC(=NC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H8F6N2S/c14-12(15,16)10-5-9(6-11(21-10)13(17,18)19)22-8-3-1-7(20)2-4-8/h1-6H,20H2