3-butyl-2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-butyl-2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-butyl-2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-butyl-2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-butyl-2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-butyl-2-[(2-keto-7-methyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

InChI=1S/C23H22N2O3S/c1-3-4-11-25-22(27)18-7-5-6-8-19(18)24-23(25)29-14-16-13-21(26)28-20-12-15(2)9-10-17(16)20/h5-10,12-13H,3-4,11,14H2,1-2H3