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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)OC

InChI

InChI=1S/C26H20N2O4S/c1-16-7-3-6-10-22(16)28-25(30)20-8-4-5-9-21(20)27-26(28)33-15-17-13-24(29)32-23-14-18(31-2)11-12-19(17)23/h3-14H,15H2,1-2H3