methyl N'-(4-nitrophenyl)carbamimidothioate iodide

Systemtic Name: methyl N'-(4-nitrophenyl)carbamimidothioate iodide Openeye Name: 2-methyl-3-(4-nitrophenyl)isothiourea iodide CAS Name: N'-(4-nitrophenyl)carbamimidothioic acid methyl ester iodide IUPAC Name: methyl N'-(4-nitrophenyl)carbamimidothioate iodide Traditional Name: 2-methyl-3-(4-nitrophenyl)isothiourea iodide Formula: C8H9IN3O2S- MolecularWeight: 338.14543

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=C(C=C1)[N+](=O)[O-])N.[I-]

Isomeric SMILES

CSC(=NC1=CC=C(C=C1)[N+](=O)[O-])N.[I-]

InChI

InChI=1S/C8H9N3O2S.HI/c1-14-8(9)10-6-2-4-7(5-3-6)11(12)13;/h2-5H,1H3,(H2,9,10);1H/p-1