methyl 5-oxidanylidene-3-phenyl-4H-pyrazole-1-carboximidothioate hydroiodide

Systemtic Name: methyl 5-oxidanylidene-3-phenyl-4H-pyrazole-1-carboximidothioate hydroiodide Openeye Name: methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboximidothioate hydroiodide CAS Name: 5-oxo-3-phenyl-4H-pyrazole-1-carboximidothioic acid methyl ester hydroiodide IUPAC Name: methyl 5-oxo-3-phenyl-4H-pyrazole-1-carboximidothioate hydroiodide Traditional Name: 5-keto-3-phenyl-2-pyrazoline-1-carboximidothioic acid methyl ester hydroiodide Formula: C11H12IN3OS MolecularWeight: 361.20195

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)N1C(=O)CC(=N1)C2=CC=CC=C2.I

Isomeric SMILES

CSC(=N)N1C(=O)CC(=N1)C2=CC=CC=C2.I

InChI

InChI=1S/C11H11N3OS.HI/c1-16-11(12)14-10(15)7-9(13-14)8-5-3-2-4-6-8;/h2-6,12H,7H2,1H3;1H