1-pentyl-3-[4-(trifluoromethylsulfanyl)phenyl]urea

Systemtic Name: 1-pentyl-3-[4-(trifluoromethylsulfanyl)phenyl]urea Openeye Name: 1-pentyl-3-[4-(trifluoromethylsulfanyl)phenyl]urea CAS Name: 1-pentyl-3-[4-(trifluoromethylthio)phenyl]urea IUPAC Name: 1-pentyl-3-[4-(trifluoromethylsulfanyl)phenyl]urea Traditional Name: 1-amyl-3-[4-(trifluoromethylthio)phenyl]urea Formula: C13H17F3N2OS MolecularWeight: 306.34709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

CCCCCNC(=O)NC1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C13H17F3N2OS/c1-2-3-4-9-17-12(19)18-10-5-7-11(8-6-10)20-13(14,15)16/h5-8H,2-4,9H2,1H3,(H2,17,18,19)