7-methylsulfanyl-1-(pyridin-2-ylmethyl)-3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]quinolin-2-one

Systemtic Name: 7-methylsulfanyl-1-(pyridin-2-ylmethyl)-3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]quinolin-2-one Openeye Name: 7-methylsulfanyl-1-(2-pyridylmethyl)-3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]quinolin-2-one CAS Name: 7-(methylthio)-1-(2-pyridinylmethyl)-3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]-2-quinolinone IUPAC Name: 7-methylsulfanyl-1-(pyridin-2-ylmethyl)-3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]quinolin-2-one Traditional Name: 7-(methylthio)-1-(2-pyridylmethyl)-3-[[[3-(trifluoromethyl)benzyl]amino]methyl]carbostyril Formula: C25H22F3N3OS MolecularWeight: 469.52189

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC=CC=N3)CNCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC=CC=N3)CNCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C25H22F3N3OS/c1-33-22-9-8-18-12-19(15-29-14-17-5-4-6-20(11-17)25(26,27)28)24(32)31(23(18)13-22)16-21-7-2-3-10-30-21/h2-13,29H,14-16H2,1H3