1-(4-methylphenyl)-2-[(5-morpholin-4-ium-4-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methylphenyl)-2-[(5-morpholin-4-ium-4-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanone Openeye Name: 2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanyl-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-[[5-(4-morpholin-4-iumylidene)-3-dithiolyl]thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanylethanone Traditional Name: 2-[(5-morpholin-4-ium-4-ylidenedithiol-3-yl)thio]-1-(p-tolyl)ethanone Formula: C16H18NO2S3+ MolecularWeight: 352.51462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=CC(=[N+]3CCOCC3)SS2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=CC(=[N+]3CCOCC3)SS2

InChI

InChI=1S/C16H18NO2S3/c1-12-2-4-13(5-3-12)14(18)11-20-16-10-15(21-22-16)17-6-8-19-9-7-17/h2-5,10H,6-9,11H2,1H3/q+1