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

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[(2-methyl-3-nitrophenyl)methylthio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[(2-methyl-3-nitrophenyl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[(2-methyl-3-nitro-benzyl)thio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C22H18N4O3S MolecularWeight: 418.46832

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3S/c1-14-10-11-20(23-12-14)25-21(27)17-7-3-4-8-18(17)24-22(25)30-13-16-6-5-9-19(15(16)2)26(28)29/h3-12H,13H2,1-2H3