7-chloranyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 7-chloro-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 7-chloro-2-[(2-methoxy-5-nitrophenyl)methylthio]-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 7-chloro-2-[(2-methoxy-5-nitro-benzyl)thio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O5S/c1-28-9-3-8-23-19(25)16-6-4-14(21)11-17(16)22-20(23)30-12-13-10-15(24(26)27)5-7-18(13)29-2/h4-7,10-11H,3,8-9,12H2,1-2H3