2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H17N3O4S/c1-14-6-9-21(24-11-14)26-22(28)16-4-2-3-5-17(16)25-23(26)31-12-18(27)15-7-8-19-20(10-15)30-13-29-19/h2-11H,12-13H2,1H3