3-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H19N3O5S/c1-30-20-11-10-16(13-21(20)31-2)25-22(27)18-8-3-4-9-19(18)24-23(25)32-14-15-6-5-7-17(12-15)26(28)29/h3-13H,14H2,1-2H3