methyl N'-(2,5-diphenylpyrazol-3-yl)carbamimidothioate hydroiodide

Systemtic Name: methyl N'-(2,5-diphenylpyrazol-3-yl)carbamimidothioate hydroiodide Openeye Name: 3-(2,5-diphenylpyrazol-3-yl)-2-methyl-isothiourea hydroiodide CAS Name: N'-(2,5-diphenyl-3-pyrazolyl)carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-(2,5-diphenylpyrazol-3-yl)carbamimidothioate hydroiodide Traditional Name: 3-(2,5-diphenylpyrazol-3-yl)-2-methyl-isothiourea hydroiodide Formula: C17H17IN4S MolecularWeight: 436.31315

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3)N.I

Isomeric SMILES

CS/C(=N\C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3)/N.I

InChI

InChI=1S/C17H16N4S.HI/c1-22-17(18)19-16-12-15(13-8-4-2-5-9-13)20-21(16)14-10-6-3-7-11-14;/h2-12H,1H3,(H2,18,19);1H