3-(5-methylpyridin-2-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(5-methylpyridin-2-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(5-methyl-2-pyridyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(5-methyl-2-pyridinyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(5-methylpyridin-2-yl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(5-methyl-2-pyridyl)-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O3S/c1-14-6-11-19(22-12-14)24-20(26)17-4-2-3-5-18(17)23-21(24)29-13-15-7-9-16(10-8-15)25(27)28/h2-12H,13H2,1H3