1-(1-oxidanidylpyridin-1-ium-3-yl)carbothioylurea dihydrochloride

Systemtic Name: 1-(1-oxidanidylpyridin-1-ium-3-yl)carbothioylurea dihydrochloride Openeye Name: (1-oxidopyridin-1-ium-3-carbothioyl)urea dihydrochloride CAS Name: [(1-oxido-3-pyridin-1-iumyl)-sulfanylidenemethyl]urea dihydrochloride IUPAC Name: (1-oxidopyridin-1-ium-3-carbothioyl)urea dihydrochloride Traditional Name: (1-oxidopyridin-1-ium-3-carbothioyl)urea dihydrochloride Formula: C7H9Cl2N3O2S MolecularWeight: 270.13626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])C(=S)NC(=O)N.Cl.Cl

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])C(=S)NC(=O)N.Cl.Cl

InChI

InChI=1S/C7H7N3O2S.2ClH/c8-7(11)9-6(13)5-2-1-3-10(12)4-5;;/h1-4H,(H3,8,9,11,13);2*1H