3-(2-methoxy-5-methyl-phenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(2-methoxy-5-methyl-phenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2-methoxy-5-methyl-phenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(2-methoxy-5-methylphenyl)-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(2-methoxy-5-methylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2-methoxy-5-methyl-phenyl)-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O4S/c1-15-10-11-21(30-2)20(12-15)25-22(27)18-8-3-4-9-19(18)24-23(25)31-14-16-6-5-7-17(13-16)26(28)29/h3-13H,14H2,1-2H3