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

Systemtic Name: 2-[(5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanylacetonitrile CAS Name: 2-[[5-(1-pyrrolidin-1-iumylidene)-3-dithiolyl]thio]acetonitrile IUPAC Name: 2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanylacetonitrile Traditional Name: 2-[(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)thio]acetonitrile Formula: C9H11N2S3+ MolecularWeight: 243.39204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2C=C(SS2)SCC#N)C1

Isomeric SMILES

C1CC[N+](=C2C=C(SS2)SCC#N)C1

InChI

InChI=1S/C9H11N2S3/c10-3-6-12-9-7-8(13-14-9)11-4-1-2-5-11/h7H,1-2,4-6H2/q+1