3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-aniline

Systemtic Name: 3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-aniline Openeye Name: 3-methyl-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]aniline CAS Name: 3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]thio]aniline IUPAC Name: 3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylaniline Traditional Name: [3-methyl-4-[[5-(trifluoromethyl)-2-pyridyl]thio]phenyl]amine Formula: C13H11F3N2S MolecularWeight: 284.30005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)N)SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H11F3N2S/c1-8-6-10(17)3-4-11(8)19-12-5-2-9(7-18-12)13(14,15)16/h2-7H,17H2,1H3