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

Systemtic Name: 7-chloranyl-2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C20H14Cl2N4O2S MolecularWeight: 445.32176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14Cl2N4O2S/c1-2-7-26-19(28)13-5-3-12(22)9-16(13)24-20(26)29-10-17-23-15-6-4-11(21)8-14(15)18(27)25-17/h2-6,8-9H,1,7,10H2,(H,23,25,27)