7-chloranyl-3-(3-methoxypropyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-methoxypropyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(3-methoxypropyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(3-methoxypropyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methoxypropyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-(3-methoxypropyl)-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O4S/c1-27-10-2-9-22-18(24)16-8-5-14(20)11-17(16)21-19(22)28-12-13-3-6-15(7-4-13)23(25)26/h3-8,11H,2,9-10,12H2,1H3