methyl N'-[(E)-(2-nitrophenyl)methylideneamino]carbamimidothioate iodide

Systemtic Name: methyl N'-[(E)-(2-nitrophenyl)methylideneamino]carbamimidothioate iodide Openeye Name: 2-methyl-3-[(E)-(2-nitrophenyl)methyleneamino]isothiourea iodide CAS Name: N'-[(E)-(2-nitrophenyl)methylideneamino]carbamimidothioic acid methyl ester iodide IUPAC Name: methyl N'-[(E)-(2-nitrophenyl)methylideneamino]carbamimidothioate iodide Traditional Name: 2-methyl-3-[(E)-(2-nitrobenzylidene)amino]isothiourea iodide Formula: C9H10IN4O2S- MolecularWeight: 365.17077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O2S.HI/c1-16-9(10)12-11-6-7-4-2-3-5-8(7)13(14)15;/h2-6H,1H3,(H2,10,12);1H/p-1/b11-6+;