6-bromanyl-3-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 6-bromo-3-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 6-bromo-3-(2-methoxyethyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 6-bromo-3-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 6-bromo-3-(2-methoxyethyl)-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C18H16BrN3O4S MolecularWeight: 450.30634

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrN3O4S/c1-26-9-8-21-17(23)15-10-13(19)4-7-16(15)20-18(21)27-11-12-2-5-14(6-3-12)22(24)25/h2-7,10H,8-9,11H2,1H3