4-methyl-1-(3-nitrophenyl)-[1,3]thiazolo[3,2-a]quinazolin-4-ium-5-one bromide

Systemtic Name: 4-methyl-1-(3-nitrophenyl)-[1,3]thiazolo[3,2-a]quinazolin-4-ium-5-one bromide Openeye Name: 4-methyl-1-(3-nitrophenyl)thiazolo[3,2-a]quinazolin-4-ium-5-one bromide CAS Name: 4-methyl-1-(3-nitrophenyl)-5-thiazolo[3,2-a]quinazolin-4-iumone bromide IUPAC Name: 4-methyl-1-(3-nitrophenyl)-[1,3]thiazolo[3,2-a]quinazolin-4-ium-5-one bromide Traditional Name: 4-methyl-1-(3-nitrophenyl)thiazolo[3,2-a]quinazolin-4-ium-5-one bromide Formula: C17H12BrN3O3S MolecularWeight: 418.26448

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2N(C3=CC=CC=C3C1=O)C(=CS2)C4=CC(=CC=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C[N+]1=C2N(C3=CC=CC=C3C1=O)C(=CS2)C4=CC(=CC=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H12N3O3S.BrH/c1-18-16(21)13-7-2-3-8-14(13)19-15(10-24-17(18)19)11-5-4-6-12(9-11)20(22)23;/h2-10H,1H3;1H/q+1;/p-1