3-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-piperonyl-2-[[4-(trifluoromethoxy)benzyl]thio]quinazolin-4-one Formula: C24H17F3N2O4S MolecularWeight: 486.46299

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC=C(C=C5)OC(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC=C(C=C5)OC(F)(F)F

InChI

InChI=1S/C24H17F3N2O4S/c25-24(26,27)33-17-8-5-15(6-9-17)13-34-23-28-19-4-2-1-3-18(19)22(30)29(23)12-16-7-10-20-21(11-16)32-14-31-20/h1-11H,12-14H2