2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[(2-keto-7-methoxy-chromen-4-yl)methylthio]quinazolin-4-one Formula: C26H20N2O4S MolecularWeight: 456.513

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C26H20N2O4S/c1-31-19-11-12-20-18(13-24(29)32-23(20)14-19)16-33-26-27-22-10-6-5-9-21(22)25(30)28(26)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3