1-(5-methylsulfanyl-1,2-dithiol-3-ylidene)azepan-1-ium iodide

Systemtic Name: 1-(5-methylsulfanyl-1,2-dithiol-3-ylidene)azepan-1-ium iodide Openeye Name: 1-(5-methylsulfanyldithiol-3-ylidene)azepan-1-ium iodide CAS Name: 1-[5-(methylthio)-3-dithiolylidene]azepan-1-ium iodide IUPAC Name: 1-(5-methylsulfanyldithiol-3-ylidene)azepan-1-ium iodide Traditional Name: 1-[5-(methylthio)dithiol-3-ylidene]azepan-1-ium iodide Formula: C10H16INS3 MolecularWeight: 373.34021

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=[N+]2CCCCCC2)SS1.[I-]

Isomeric SMILES

CSC1=CC(=[N+]2CCCCCC2)SS1.[I-]

InChI

InChI=1S/C10H16NS3.HI/c1-12-10-8-9(13-14-10)11-6-4-2-3-5-7-11;/h8H,2-7H2,1H3;1H/q+1;/p-1