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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C)C

InChI

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