2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-quinazolin-4-one bromide

Systemtic Name: 2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-quinazolin-4-one bromide Openeye Name: 2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-3-phenyl-quinazolin-4-one bromide CAS Name: 2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone bromide IUPAC Name: 2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one bromide Traditional Name: 2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-3-phenyl-quinazolin-4-one bromide Formula: C22H15BrN3O4S- MolecularWeight: 497.3412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C22H15N3O4S.BrH/c26-20(15-7-6-10-17(13-15)25(28)29)14-30-22-23-19-12-5-4-11-18(19)21(27)24(22)16-8-2-1-3-9-16;/h1-13H,14H2;1H/p-1