methyl N'-[(4-nitrophenyl)methylideneamino]carbamimidothioate hydroiodide

Systemtic Name: methyl N'-[(4-nitrophenyl)methylideneamino]carbamimidothioate hydroiodide Openeye Name: 2-methyl-3-[(4-nitrophenyl)methyleneamino]isothiourea hydroiodide CAS Name: N'-[(4-nitrophenyl)methylideneamino]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-[(4-nitrophenyl)methylideneamino]carbamimidothioate hydroiodide Traditional Name: 2-methyl-3-[(4-nitrobenzylidene)amino]isothiourea hydroiodide Formula: C9H11IN4O2S MolecularWeight: 366.17871

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NN=CC1=CC=C(C=C1)[N+](=O)[O-])N.I

Isomeric SMILES

CS/C(=N/N=CC1=CC=C(C=C1)[N+](=O)[O-])/N.I

InChI

InChI=1S/C9H10N4O2S.HI/c1-16-9(10)12-11-6-7-2-4-8(5-3-7)13(14)15;/h2-6H,1H3,(H2,10,12);1H