3-(5-methylpyridin-2-yl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(5-methylpyridin-2-yl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Openeye Name: 3-(5-methyl-2-pyridyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one CAS Name: 3-(5-methyl-2-pyridinyl)-2-[1-(3-nitrophenyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(5-methylpyridin-2-yl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(5-methyl-2-pyridyl)-2-[1-(3-nitrophenyl)ethylthio]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=C2SC(C)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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