(E)-[azanyl-[1-(4-nitrophenyl)-2-oxidanylidene-pyrrolidin-3-yl]sulfanyl-methylidene]-methyl-azanium bromide

Systemtic Name: (E)-[azanyl-[1-(4-nitrophenyl)-2-oxidanylidene-pyrrolidin-3-yl]sulfanyl-methylidene]-methyl-azanium bromide Openeye Name: (E)-[amino-[1-(4-nitrophenyl)-2-oxo-pyrrolidin-3-yl]sulfanyl-methylene]-methyl-ammonium bromide CAS Name: (E)-[amino-[[1-(4-nitrophenyl)-2-oxo-3-pyrrolidinyl]thio]methylidene]-methylammonium bromide IUPAC Name: (E)-[amino-[1-(4-nitrophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethylidene]-methylazanium bromide Traditional Name: (E)-[amino-[[2-keto-1-(4-nitrophenyl)pyrrolidin-3-yl]thio]methylene]-methyl-ammonium bromide Formula: C12H15BrN4O3S MolecularWeight: 375.2415

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]=C(N)SC1CCN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

C/[NH+]=C(\N)/SC1CCN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C12H14N4O3S.BrH/c1-14-12(13)20-10-6-7-15(11(10)17)8-2-4-9(5-3-8)16(18)19;/h2-5,10H,6-7H2,1H3,(H2,13,14);1H