2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-1H-quinazolin-4-one IUPAC Name: 2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-1H-quinazolin-4-one Formula: C18H12N2O4S MolecularWeight: 352.36388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C18H12N2O4S/c21-11-5-6-12-10(7-16(22)24-15(12)8-11)9-25-18-19-14-4-2-1-3-13(14)17(23)20-18/h1-8,21H,9H2,(H,19,20,23)