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

Systemtic Name: 1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea Openeye Name: 1-(2-cyanoethyl)-1-(tetrahydrofuran-2-ylmethyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea CAS Name: 1-(2-cyanoethyl)-1-(2-oxolanylmethyl)-3-[3-(trifluoromethylthio)phenyl]urea IUPAC Name: 1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea Traditional Name: 1-(2-cyanoethyl)-1-(tetrahydrofurfuryl)-3-[3-(trifluoromethylthio)phenyl]urea Formula: C16H18F3N3O2S MolecularWeight: 373.39323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CCC#N)C(=O)NC2=CC(=CC=C2)SC(F)(F)F

Isomeric SMILES

C1CC(OC1)CN(CCC#N)C(=O)NC2=CC(=CC=C2)SC(F)(F)F

InChI

InChI=1S/C16H18F3N3O2S/c17-16(18,19)25-14-6-1-4-12(10-14)21-15(23)22(8-3-7-20)11-13-5-2-9-24-13/h1,4,6,10,13H,2-3,5,8-9,11H2,(H,21,23)