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

Systemtic Name: 1-(2-cyanoethyl)-1-(phenylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]urea Openeye Name: 1-benzyl-1-(2-cyanoethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]urea CAS Name: 1-(2-cyanoethyl)-1-(phenylmethyl)-3-[4-(trifluoromethylthio)phenyl]urea IUPAC Name: 1-benzyl-1-(2-cyanoethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]urea Traditional Name: 1-benzyl-1-(2-cyanoethyl)-3-[4-(trifluoromethylthio)phenyl]urea Formula: C18H16F3N3OS MolecularWeight: 379.39935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=O)NC2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=O)NC2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C18H16F3N3OS/c19-18(20,21)26-16-9-7-15(8-10-16)23-17(25)24(12-4-11-22)13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2,(H,23,25)