1-butyl-3-[4-(trifluoromethylsulfanylsulfonyl)phenyl]urea

Systemtic Name: 1-butyl-3-[4-(trifluoromethylsulfanylsulfonyl)phenyl]urea Openeye Name: 1-butyl-3-[4-(trifluoromethylsulfanylsulfonyl)phenyl]urea CAS Name: 1-butyl-3-[4-(trifluoromethylthio)sulfonylphenyl]urea IUPAC Name: 1-butyl-3-[4-(trifluoromethylsulfanylsulfonyl)phenyl]urea Traditional Name: 1-butyl-3-[4-(trifluoromethylthio)sulfonylphenyl]urea Formula: C12H15F3N2O3S2 MolecularWeight: 356.38431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)SC(F)(F)F

Isomeric SMILES

CCCCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)SC(F)(F)F

InChI

InChI=1S/C12H15F3N2O3S2/c1-2-3-8-16-11(18)17-9-4-6-10(7-5-9)22(19,20)21-12(13,14)15/h4-7H,2-3,8H2,1H3,(H2,16,17,18)