1-(2-cyanoethyl)-1-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]urea

Systemtic Name: 1-(2-cyanoethyl)-1-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]urea Openeye Name: 1-(2-cyanoethyl)-1-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]urea CAS Name: 1-(2-cyanoethyl)-1-methyl-3-[4-(trifluoromethylthio)phenyl]urea IUPAC Name: 1-(2-cyanoethyl)-1-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]urea Traditional Name: 1-(2-cyanoethyl)-1-methyl-3-[4-(trifluoromethylthio)phenyl]urea Formula: C12H12F3N3OS MolecularWeight: 303.30339

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)NC1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

CN(CCC#N)C(=O)NC1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C12H12F3N3OS/c1-18(8-2-7-16)11(19)17-9-3-5-10(6-4-9)20-12(13,14)15/h3-6H,2,8H2,1H3,(H,17,19)