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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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