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

Systemtic Name: 2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]quinazolin-4-one Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C21H16N2O4S/c1-2-9-23-20(26)16-5-3-4-6-17(16)22-21(23)28-12-13-10-19(25)27-18-11-14(24)7-8-15(13)18/h2-8,10-11,24H,1,9,12H2