6-chloranyl-2-[[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 6-chloro-2-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[4-keto-7-(trifluoromethyl)-1H-quinazolin-2-yl]methylthio]quinazolin-4-one Formula: C21H14ClF3N4O2S MolecularWeight: 478.87467

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H14ClF3N4O2S/c1-2-7-29-19(31)14-9-12(22)4-6-15(14)27-20(29)32-10-17-26-16-8-11(21(23,24)25)3-5-13(16)18(30)28-17/h2-6,8-9H,1,7,10H2,(H,26,28,30)