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

Systemtic Name: 3-(4-bromophenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(4-bromophenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(4-bromophenyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-bromophenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-bromophenyl)-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C21H14BrN3O3S MolecularWeight: 468.32316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H14BrN3O3S/c22-15-7-11-16(12-8-15)24-20(26)18-3-1-2-4-19(18)23-21(24)29-13-14-5-9-17(10-6-14)25(27)28/h1-12H,13H2