2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one Openeye Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(p-tolyl)quinazolin-4-one CAS Name: 2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-(4-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one Traditional Name: 2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-3-(p-tolyl)quinazolin-4-one Formula: C27H22N2O3S MolecularWeight: 454.54018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5C)C

InChI

InChI=1S/C27H22N2O3S/c1-16-8-11-20(12-9-16)29-26(31)22-6-4-5-7-23(22)28-27(29)33-15-19-14-24(30)32-25-18(3)17(2)10-13-21(19)25/h4-14H,15H2,1-3H3