4-[2-[(5-morpholin-4-ium-4-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanoyl]benzenecarbonitrile chloride

Systemtic Name: 4-[2-[(5-morpholin-4-ium-4-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanoyl]benzenecarbonitrile chloride Openeye Name: 4-[2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanylacetyl]benzonitrile chloride CAS Name: 4-[2-[[5-(4-morpholin-4-iumylidene)-3-dithiolyl]thio]-1-oxoethyl]benzonitrile chloride IUPAC Name: 4-[2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanylacetyl]benzonitrile chloride Traditional Name: 4-[2-[(5-morpholin-4-ium-4-ylidenedithiol-3-yl)thio]acetyl]benzonitrile chloride Formula: C16H15ClN2O2S3 MolecularWeight: 398.9505

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1=C2C=C(SS2)SCC(=O)C3=CC=C(C=C3)C#N.[Cl-]

Isomeric SMILES

C1COCC[N+]1=C2C=C(SS2)SCC(=O)C3=CC=C(C=C3)C#N.[Cl-]

InChI

InChI=1S/C16H15N2O2S3.ClH/c17-10-12-1-3-13(4-2-12)14(19)11-21-16-9-15(22-23-16)18-5-7-20-8-6-18;/h1-4,9H,5-8,11H2;1H/q+1;/p-1