methyl N'-[(E)-1-phenylethylideneamino]carbamimidothioate hydroiodide

Systemtic Name: methyl N'-[(E)-1-phenylethylideneamino]carbamimidothioate hydroiodide Openeye Name: 2-methyl-3-[(E)-1-phenylethylideneamino]isothiourea hydroiodide CAS Name: N'-[(E)-1-phenylethylideneamino]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-[(E)-1-phenylethylideneamino]carbamimidothioate hydroiodide Traditional Name: 2-methyl-3-[(E)-1-phenylethylideneamino]isothiourea hydroiodide Formula: C10H14IN3S MolecularWeight: 335.20773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N)SC)C1=CC=CC=C1.I

Isomeric SMILES

C/C(=N\N=C(/N)\SC)/C1=CC=CC=C1.I

InChI

InChI=1S/C10H13N3S.HI/c1-8(12-13-10(11)14-2)9-6-4-3-5-7-9;/h3-7H,1-2H3,(H2,11,13);1H/b12-8+;