[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] carbamimidothioate hydrobromide

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] carbamimidothioate hydrobromide Openeye Name: 2-[2-(3-nitrophenyl)-2-oxo-ethyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid [2-(3-nitrophenyl)-2-oxoethyl] ester hydrobromide IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] carbamimidothioate hydrobromide Traditional Name: 2-[2-keto-2-(3-nitrophenyl)ethyl]isothiourea hydrobromide Formula: C9H10BrN3O3S MolecularWeight: 320.163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC(=N)N.Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC(=N)N.Br

InChI

InChI=1S/C9H9N3O3S.BrH/c10-9(11)16-5-8(13)6-2-1-3-7(4-6)12(14)15;/h1-4H,5H2,(H3,10,11);1H