(4-methoxy-3-nitro-phenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (4-methoxy-3-nitro-phenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (4-methoxy-3-nitrophenyl)methyl ester hydrochloride IUPAC Name: (4-methoxy-3-nitrophenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(4-methoxy-3-nitro-benzyl)isothiourea hydrochloride Formula: C9H12ClN3O3S MolecularWeight: 277.72788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O3S.ClH/c1-15-8-3-2-6(5-16-9(10)11)4-7(8)12(13)14;/h2-4H,5H2,1H3,(H3,10,11);1H