3-(5-methylpyridin-2-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(5-methylpyridin-2-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(5-methyl-2-pyridyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(5-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(5-methylpyridin-2-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(5-methyl-2-pyridyl)-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C22H16F3N3OS MolecularWeight: 427.44215

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H16F3N3OS/c1-14-9-10-19(26-12-14)28-20(29)17-7-2-3-8-18(17)27-21(28)30-13-15-5-4-6-16(11-15)22(23,24)25/h2-12H,13H2,1H3