tert-butyl N-[sulfanyl-[3-(trifluoromethyl)phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[sulfanyl-[3-(trifluoromethyl)phenyl]methyl]carbamate Openeye Name: tert-butyl N-[sulfanyl-[3-(trifluoromethyl)phenyl]methyl]carbamate CAS Name: N-[mercapto-[3-(trifluoromethyl)phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[sulfanyl-[3-(trifluoromethyl)phenyl]methyl]carbamate Traditional Name: N-[mercapto-[3-(trifluoromethyl)phenyl]methyl]carbamic acid tert-butyl ester Formula: C13H16F3NO2S MolecularWeight: 307.33185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC(=CC=C1)C(F)(F)F)S

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC(=CC=C1)C(F)(F)F)S

InChI

InChI=1S/C13H16F3NO2S/c1-12(2,3)19-11(18)17-10(20)8-5-4-6-9(7-8)13(14,15)16/h4-7,10,20H,1-3H3,(H,17,18)