(4,5-dimethoxy-2-nitro-phenyl)methyl carbamimidothioate hydrobromide

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl carbamimidothioate hydrobromide Openeye Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester hydrobromide IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl carbamimidothioate hydrobromide Traditional Name: 2-(4,5-dimethoxy-2-nitro-benzyl)isothiourea hydrobromide Formula: C10H14BrN3O4S MolecularWeight: 352.20486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC(=N)N)[N+](=O)[O-])OC.Br

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC(=N)N)[N+](=O)[O-])OC.Br

InChI

InChI=1S/C10H13N3O4S.BrH/c1-16-8-3-6(5-18-10(11)12)7(13(14)15)4-9(8)17-2;/h3-4H,5H2,1-2H3,(H3,11,12);1H