methyl N'-[(E)-pyridin-3-ylmethylideneamino]carbamimidothioate hydroiodide

Systemtic Name: methyl N'-[(E)-pyridin-3-ylmethylideneamino]carbamimidothioate hydroiodide Openeye Name: 2-methyl-3-[(E)-3-pyridylmethyleneamino]isothiourea hydroiodide CAS Name: N'-[(E)-3-pyridinylmethylideneamino]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-[(E)-pyridin-3-ylmethylideneamino]carbamimidothioate hydroiodide Traditional Name: 2-methyl-3-[(E)-3-pyridylmethyleneamino]isothiourea hydroiodide Formula: C8H11IN4S MolecularWeight: 322.16921

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NN=CC1=CN=CC=C1)N.I

Isomeric SMILES

CS/C(=N/N=C/C1=CN=CC=C1)/N.I

InChI

InChI=1S/C8H10N4S.HI/c1-13-8(9)12-11-6-7-3-2-4-10-5-7;/h2-6H,1H3,(H2,9,12);1H/b11-6+;