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

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-fluorophenyl)-2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C26H18ClFN2O3S MolecularWeight: 492.949123

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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)F)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)F)Cl)C

InChI

InChI=1S/C26H18ClFN2O3S/c1-14-7-9-18-16(11-23(31)33-24(18)15(14)2)13-34-26-29-22-6-4-3-5-19(22)25(32)30(26)17-8-10-21(28)20(27)12-17/h3-12H,13H2,1-2H3