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

Systemtic Name: 2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one bromide Openeye Name: 3-allyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one bromide CAS Name: 2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone bromide IUPAC Name: 2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one bromide Traditional Name: 3-allyl-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]quinazolin-4-one bromide Formula: C19H15BrN3O4S- MolecularWeight: 461.3091

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C19H15N3O4S.BrH/c1-2-11-21-18(24)15-5-3-4-6-16(15)20-19(21)27-12-17(23)13-7-9-14(10-8-13)22(25)26;/h2-10H,1,11-12H2;1H/p-1