methyl N'-[4-methyl-5-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamimidothioate hydroiodide

Systemtic Name: methyl N'-[4-methyl-5-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamimidothioate hydroiodide Openeye Name: 2-methyl-3-[4-methyl-5-(3-nitrophenyl)thiazol-2-yl]isothiourea hydroiodide CAS Name: N'-[4-methyl-5-(3-nitrophenyl)-2-thiazolyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-[4-methyl-5-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamimidothioate hydroiodide Traditional Name: 2-methyl-3-[4-methyl-5-(3-nitrophenyl)thiazol-2-yl]isothiourea hydroiodide Formula: C12H13IN4O2S2 MolecularWeight: 436.29169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)SC)C2=CC(=CC=C2)[N+](=O)[O-].I

Isomeric SMILES

CC1=C(SC(=N1)/N=C(/N)\SC)C2=CC(=CC=C2)[N+](=O)[O-].I

InChI

InChI=1S/C12H12N4O2S2.HI/c1-7-10(20-12(14-7)15-11(13)19-2)8-4-3-5-9(6-8)16(17)18;/h3-6H,1-2H3,(H2,13,14,15);1H