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

Systemtic Name: 3-(3,3-diethoxypropyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,3-diethoxypropyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,3-diethoxypropyl)-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3,3-diethoxypropyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,3-diethoxypropyl)-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H25N3O5S/c1-3-29-20(30-4-2)12-13-24-21(26)18-10-5-6-11-19(18)23-22(24)31-15-16-8-7-9-17(14-16)25(27)28/h5-11,14,20H,3-4,12-13,15H2,1-2H3