1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-methylsulfanylphenyl)methyl]urea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-methylsulfanylphenyl)methyl]urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-methylsulfanylphenyl)methyl]urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[[4-(methylthio)phenyl]methyl]urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-methylsulfanylphenyl)methyl]urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(methylthio)benzyl]urea Formula: C17H14F6N2OS MolecularWeight: 408.361279

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H14F6N2OS/c1-27-14-4-2-10(3-5-14)9-24-15(26)25-13-7-11(16(18,19)20)6-12(8-13)17(21,22)23/h2-8H,9H2,1H3,(H2,24,25,26)