3-(3-methoxypropyl)-2-[2-(3-nitrophenoxy)ethylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-methoxypropyl)-2-[2-(3-nitrophenoxy)ethylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-methoxypropyl)-2-[2-(3-nitrophenoxy)ethylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methoxypropyl)-2-[2-(3-nitrophenoxy)ethylthio]-4-quinazolinone IUPAC Name: 3-(3-methoxypropyl)-2-[2-(3-nitrophenoxy)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-methoxypropyl)-2-[2-(3-nitrophenoxy)ethylthio]quinazolin-4-one Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCCOC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCCOC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-27-11-5-10-22-19(24)17-8-2-3-9-18(17)21-20(22)29-13-12-28-16-7-4-6-15(14-16)23(25)26/h2-4,6-9,14H,5,10-13H2,1H3