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

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl carbamimidothioate Openeye Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl carbamimidothioate Traditional Name: 2-(4,5-dimethoxy-2-nitro-benzyl)isothiourea Formula: C10H13N3O4S MolecularWeight: 271.29292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3O4S/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)