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

Systemtic Name: 1-phenyl-2-[(5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanone Openeye Name: 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanyl-ethanone CAS Name: 1-phenyl-2-[[5-(1-pyrrolidin-1-iumylidene)-3-dithiolyl]thio]ethanone IUPAC Name: 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanylethanone Traditional Name: 1-phenyl-2-[(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)thio]ethanone Formula: C15H16NOS3+ MolecularWeight: 322.48864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16NOS3/c17-13(12-6-2-1-3-7-12)11-18-15-10-14(19-20-15)16-8-4-5-9-16/h1-3,6-7,10H,4-5,8-9,11H2/q+1