methyl N'-[(E)-(4-bromanyl-3-methyl-1,2-thiazol-5-yl)methylideneamino]carbamimidothioate iodide

Systemtic Name: methyl N'-[(E)-(4-bromanyl-3-methyl-1,2-thiazol-5-yl)methylideneamino]carbamimidothioate iodide Openeye Name: 3-[(E)-(4-bromo-3-methyl-isothiazol-5-yl)methyleneamino]-2-methyl-isothiourea iodide CAS Name: N'-[(E)-(4-bromo-3-methyl-5-isothiazolyl)methylideneamino]carbamimidothioic acid methyl ester iodide IUPAC Name: methyl N'-[(E)-(4-bromo-3-methyl-1,2-thiazol-5-yl)methylideneamino]carbamimidothioate iodide Traditional Name: 3-[(E)-(4-bromo-3-methyl-isothiazol-5-yl)methyleneamino]-2-methyl-isothiourea iodide Formula: C7H9BrIN4S2- MolecularWeight: 420.11163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1Br)C=NN=C(N)SC.[I-]

Isomeric SMILES

CC1=NSC(=C1Br)/C=N/N=C(/N)\SC.[I-]

InChI

InChI=1S/C7H9BrN4S2.HI/c1-4-6(8)5(14-12-4)3-10-11-7(9)13-2;/h3H,1-2H3,(H2,9,11);1H/p-1/b10-3+;