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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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