2-[(5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)sulfanyl]-1-thiophen-2-yl-ethanone iodide

Systemtic Name: 2-[(5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)sulfanyl]-1-thiophen-2-yl-ethanone iodide Openeye Name: 2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanyl-1-(2-thienyl)ethanone iodide CAS Name: 2-[[5-(1-pyrrolidin-1-iumylidene)-3-dithiolyl]thio]-1-thiophen-2-ylethanone iodide IUPAC Name: 2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanyl-1-thiophen-2-ylethanone iodide Traditional Name: 2-[(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)thio]-1-(2-thienyl)ethanone iodide Formula: C13H14INOS4 MolecularWeight: 455.42083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2C=C(SS2)SCC(=O)C3=CC=CS3)C1.[I-]

Isomeric SMILES

C1CC[N+](=C2C=C(SS2)SCC(=O)C3=CC=CS3)C1.[I-]

InChI

InChI=1S/C13H14NOS4.HI/c15-10(11-4-3-7-16-11)9-17-13-8-12(18-19-13)14-5-1-2-6-14;/h3-4,7-8H,1-2,5-6,9H2;1H/q+1;/p-1