1-(4-bromophenyl)-2-(3-oxidanidyl-2-phenyl-quinazolin-3-ium-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-bromophenyl)-2-(3-oxidanidyl-2-phenyl-quinazolin-3-ium-4-yl)sulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-(3-oxido-2-phenyl-quinazolin-3-ium-4-yl)sulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-[(3-oxido-2-phenyl-4-quinazolin-3-iumyl)thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-(3-oxido-2-phenylquinazolin-3-ium-4-yl)sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[(3-oxido-2-phenyl-quinazolin-3-ium-4-yl)thio]ethanone Formula: C22H15BrN2O2S MolecularWeight: 451.3357

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=[N+]2[O-])SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=[N+]2[O-])SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H15BrN2O2S/c23-17-12-10-15(11-13-17)20(26)14-28-22-18-8-4-5-9-19(18)24-21(25(22)27)16-6-2-1-3-7-16/h1-13H,14H2