1-[2-(3-cyano-4-methyl-quinolin-2-yl)sulfanylphenyl]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[2-(3-cyano-4-methyl-quinolin-2-yl)sulfanylphenyl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[2-[(3-cyano-4-methyl-2-quinolyl)sulfanyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[2-[(3-cyano-4-methyl-2-quinolinyl)thio]phenyl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[2-(3-cyano-4-methylquinolin-2-yl)sulfanylphenyl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[2-[(3-cyano-4-methyl-2-quinolyl)thio]phenyl]-3-[3-(trifluoromethyl)phenyl]urea Formula: C25H17F3N4OS MolecularWeight: 478.48889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)SC3=CC=CC=C3NC(=O)NC4=CC=CC(=C4)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)SC3=CC=CC=C3NC(=O)NC4=CC=CC(=C4)C(F)(F)F)C#N

InChI

InChI=1S/C25H17F3N4OS/c1-15-18-9-2-3-10-20(18)31-23(19(15)14-29)34-22-12-5-4-11-21(22)32-24(33)30-17-8-6-7-16(13-17)25(26,27)28/h2-13H,1H3,(H2,30,32,33)