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

Systemtic Name: 3-(4-chlorophenyl)-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(4-chlorophenyl)-2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(4-chlorophenyl)-2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-chlorophenyl)-2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-chlorophenyl)-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C26H19ClN2O3S MolecularWeight: 474.95866

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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=C(C=C5)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C26H19ClN2O3S/c1-15-7-12-20-17(13-23(30)32-24(20)16(15)2)14-33-26-28-22-6-4-3-5-21(22)25(31)29(26)19-10-8-18(27)9-11-19/h3-13H,14H2,1-2H3