2-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[(7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[(7-ethyl-2-keto-chromen-4-yl)methylthio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=C(C=C5)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=C(C=C5)C

InChI

InChI=1S/C26H21N3O3S/c1-3-17-9-10-19-18(13-24(30)32-22(19)12-17)15-33-26-28-21-7-5-4-6-20(21)25(31)29(26)23-11-8-16(2)14-27-23/h4-14H,3,15H2,1-2H3