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

Systemtic Name: 2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one Traditional Name: 2-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]-3-phenyl-quinazolin-4-one Formula: C25H18N2O4S MolecularWeight: 442.48642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)O

InChI

InChI=1S/C25H18N2O4S/c1-15-21(28)12-11-18-16(13-22(29)31-23(15)18)14-32-25-26-20-10-6-5-9-19(20)24(30)27(25)17-7-3-2-4-8-17/h2-13,28H,14H2,1H3