2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylthio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[(2-methoxy-5-nitro-benzyl)thio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H18N4O4S/c1-14-7-10-20(23-12-14)25-21(27)17-5-3-4-6-18(17)24-22(25)31-13-15-11-16(26(28)29)8-9-19(15)30-2/h3-12H,13H2,1-2H3