7-chloranyl-2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-2-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C)O

InChI

InChI=1S/C22H17ClN2O4S/c1-3-8-25-21(28)16-5-4-14(23)10-17(16)24-22(25)30-11-13-9-19(27)29-20-12(2)18(26)7-6-15(13)20/h3-7,9-10,26H,1,8,11H2,2H3