4-azanyl-2-methylsulfanyl-3-pyridin-1-ium-1-yl-2,3-dihydrothiophene-5-carbonitrile iodide

Systemtic Name: 4-azanyl-2-methylsulfanyl-3-pyridin-1-ium-1-yl-2,3-dihydrothiophene-5-carbonitrile iodide Openeye Name: 4-amino-2-methylsulfanyl-3-pyridin-1-ium-1-yl-2,3-dihydrothiophene-5-carbonitrile iodide CAS Name: 4-amino-2-(methylthio)-3-(1-pyridin-1-iumyl)-2,3-dihydrothiophene-5-carbonitrile iodide IUPAC Name: 4-amino-2-methylsulfanyl-3-pyridin-1-ium-1-yl-2,3-dihydrothiophene-5-carbonitrile iodide Traditional Name: 4-amino-2-(methylthio)-3-pyridin-1-ium-1-yl-2,3-dihydrothiophene-5-carbonitrile iodide Formula: C11H12IN3S2 MolecularWeight: 377.26755

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Descriptors Computed from Structure

Canonical SMILES:

CSC1C(C(=C(S1)C#N)N)[N+]2=CC=CC=C2.[I-]

Isomeric SMILES

CSC1C(C(=C(S1)C#N)N)[N+]2=CC=CC=C2.[I-]

InChI

InChI=1S/C11H12N3S2.HI/c1-15-11-10(9(13)8(7-12)16-11)14-5-3-2-4-6-14;/h2-6,10-11H,13H2,1H3;1H/q+1;/p-1