2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-1H-quinazolin-3-ium-4-one bromide

Systemtic Name: 2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-1H-quinazolin-3-ium-4-one bromide Openeye Name: 3-allyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1H-quinazolin-3-ium-4-one bromide CAS Name: 2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-3-prop-2-enyl-1H-quinazolin-3-ium-4-one bromide IUPAC Name: 2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-1H-quinazolin-3-ium-4-one bromide Traditional Name: 3-allyl-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-1H-quinazolin-3-ium-4-one bromide Formula: C19H16BrN3O4S MolecularWeight: 462.31704

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(NC2=CC=CC=C2C1=O)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C=CC[N+]1=C(NC2=CC=CC=C2C1=O)SCC(=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