methyl N'-(4-cyanophenyl)carbamimidothioate hydroiodide

Systemtic Name: methyl N'-(4-cyanophenyl)carbamimidothioate hydroiodide Openeye Name: 3-(4-cyanophenyl)-2-methyl-isothiourea hydroiodide CAS Name: N'-(4-cyanophenyl)carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-(4-cyanophenyl)carbamimidothioate hydroiodide Traditional Name: 3-(4-cyanophenyl)-2-methyl-isothiourea hydroiodide Formula: C9H10IN3S MolecularWeight: 319.16527

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=C(C=C1)C#N)N.I

Isomeric SMILES

CSC(=NC1=CC=C(C=C1)C#N)N.I

InChI

InChI=1S/C9H9N3S.HI/c1-13-9(11)12-8-4-2-7(6-10)3-5-8;/h2-5H,1H3,(H2,11,12);1H