2-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[(6-chloro-7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[(6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[(6-chloro-7-ethyl-2-keto-chromen-4-yl)methylthio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C26H20ClN3O3S MolecularWeight: 489.9733

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=C(C=C5)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=C(C=C5)C)Cl

InChI

InChI=1S/C26H20ClN3O3S/c1-3-16-10-22-19(12-20(16)27)17(11-24(31)33-22)14-34-26-29-21-7-5-4-6-18(21)25(32)30(26)23-9-8-15(2)13-28-23/h4-13H,3,14H2,1-2H3