2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C(=C4)Cl)OCO5

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C(=C4)Cl)OCO5

InChI

InChI=1S/C22H16ClN3O3S/c1-13-6-7-19(24-10-13)26-21(27)15-4-2-3-5-17(15)25-22(26)30-11-14-8-16(23)20-18(9-14)28-12-29-20/h2-10H,11-12H2,1H3