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

Systemtic Name: 7-chloranyl-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 7-chloro-2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(o-tolyl)quinazolin-4-one CAS Name: 7-chloro-2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 7-chloro-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-3-(o-tolyl)quinazolin-4-one Formula: C27H21ClN2O3S MolecularWeight: 488.98524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3C5=CC=CC=C5C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3C5=CC=CC=C5C)C

InChI

InChI=1S/C27H21ClN2O3S/c1-15-8-10-20-18(12-24(31)33-25(20)17(15)3)14-34-27-29-22-13-19(28)9-11-21(22)26(32)30(27)23-7-5-4-6-16(23)2/h4-13H,14H2,1-3H3