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

Systemtic Name: 1-(2-cyanoethyl)-1-methyl-3-[3-(trifluoromethylsulfanyl)phenyl]urea Openeye Name: 1-(2-cyanoethyl)-1-methyl-3-[3-(trifluoromethylsulfanyl)phenyl]urea CAS Name: 1-(2-cyanoethyl)-1-methyl-3-[3-(trifluoromethylthio)phenyl]urea IUPAC Name: 1-(2-cyanoethyl)-1-methyl-3-[3-(trifluoromethylsulfanyl)phenyl]urea Traditional Name: 1-(2-cyanoethyl)-1-methyl-3-[3-(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(=CC=C1)SC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3N3OS/c1-18(7-3-6-16)11(19)17-9-4-2-5-10(8-9)20-12(13,14)15/h2,4-5,8H,3,7H2,1H3,(H,17,19)