2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one CAS Name: 2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-(3,5-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C28H24N2O3S MolecularWeight: 468.56676

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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(=C5)C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC(=C5)C)C)C

InChI

InChI=1S/C28H24N2O3S/c1-16-11-17(2)13-21(12-16)30-27(32)23-7-5-6-8-24(23)29-28(30)34-15-20-14-25(31)33-26-19(4)18(3)9-10-22(20)26/h5-14H,15H2,1-4H3