3-(4-methylsulfanyl-5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)pyridine iodide

Systemtic Name: 3-(4-methylsulfanyl-5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)pyridine iodide Openeye Name: 3-(4-methylsulfanyl-5-pyrrolidin-1-ium-1-ylidene-dithiol-3-yl)pyridine iodide CAS Name: 3-[4-(methylthio)-5-(1-pyrrolidin-1-iumylidene)-3-dithiolyl]pyridine iodide IUPAC Name: 3-(4-methylsulfanyl-5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)pyridine iodide Traditional Name: 3-[4-(methylthio)-5-pyrrolidin-1-ium-1-ylidene-dithiol-3-yl]pyridine iodide Formula: C13H15IN2S3 MolecularWeight: 422.37107

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(SSC1=[N+]2CCCC2)C3=CN=CC=C3.[I-]

Isomeric SMILES

CSC1=C(SSC1=[N+]2CCCC2)C3=CN=CC=C3.[I-]

InChI

InChI=1S/C13H15N2S3.HI/c1-16-12-11(10-5-4-6-14-9-10)17-18-13(12)15-7-2-3-8-15;/h4-6,9H,2-3,7-8H2,1H3;1H/q+1;/p-1