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

Systemtic Name: 3-(3-ethoxypropyl)-2-[(2-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-ethoxypropyl)-2-[(2-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-ethoxypropyl)-2-[(2-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-ethoxypropyl)-2-[(2-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-ethoxypropyl)-2-[(2-nitrobenzyl)thio]quinazolin-4-one Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-2-27-13-7-12-22-19(24)16-9-4-5-10-17(16)21-20(22)28-14-15-8-3-6-11-18(15)23(25)26/h3-6,8-11H,2,7,12-14H2,1H3