(4-nitrophenyl)methyl carbamimidothioate hydrobromide

Systemtic Name: (4-nitrophenyl)methyl carbamimidothioate hydrobromide Openeye Name: 2-[(4-nitrophenyl)methyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid (4-nitrophenyl)methyl ester hydrobromide IUPAC Name: (4-nitrophenyl)methyl carbamimidothioate hydrobromide Traditional Name: 2-(4-nitrobenzyl)isothiourea hydrobromide Formula: C8H10BrN3O2S MolecularWeight: 292.1529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=N)N)[N+](=O)[O-].Br

Isomeric SMILES

C1=CC(=CC=C1CSC(=N)N)[N+](=O)[O-].Br

InChI

InChI=1S/C8H9N3O2S.BrH/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13;/h1-4H,5H2,(H3,9,10);1H