2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-ethyl-quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-ethyl-quinazolin-4-one Openeye Name: 2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-ethyl-quinazolin-4-one CAS Name: 2-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-ethyl-4-quinazolinone IUPAC Name: 2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylsulfanyl]-3-ethylquinazolin-4-one Traditional Name: 2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylthio]-3-ethyl-quinazolin-4-one Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

InChI

InChI=1S/C21H17ClN2O3S/c1-3-24-20(26)14-6-4-5-7-17(14)23-21(24)28-11-13-9-19(25)27-18-8-12(2)16(22)10-15(13)18/h4-10H,3,11H2,1-2H3