4-cyclopentyl-1-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-cyclopentyl-1-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-cyclopentyl-1-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-cyclopentyl-1-[[2-(trifluoromethyl)phenyl]methylthio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-cyclopentyl-1-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-cyclopentyl-1-[[2-(trifluoromethyl)benzyl]thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C22H19F3N4OS MolecularWeight: 444.47267

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C22H19F3N4OS/c23-22(24,25)17-11-5-1-7-14(17)13-31-21-27-26-20-28(15-8-2-3-9-15)19(30)16-10-4-6-12-18(16)29(20)21/h1,4-7,10-12,15H,2-3,8-9,13H2