methane; 2-[(5-morpholin-4-ium-4-ylidene-1,2-dithiol-3-yl)sulfanyl]-1-phenyl-ethanone; iodide

Systemtic Name: methane; 2-[(5-morpholin-4-ium-4-ylidene-1,2-dithiol-3-yl)sulfanyl]-1-phenyl-ethanone; iodide Openeye Name: methane; 2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanyl-1-phenyl-ethanone; iodide CAS Name: methane; 2-[[5-(4-morpholin-4-iumylidene)-3-dithiolyl]thio]-1-phenylethanone; iodide IUPAC Name: methane; 2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanyl-1-phenylethanone; iodide Traditional Name: methane; 2-[(5-morpholin-4-ium-4-ylidenedithiol-3-yl)thio]-1-phenyl-ethanone; iodide Formula: C16H20INO2S3 MolecularWeight: 481.43497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16NO2S3.CH4.HI/c17-13(12-4-2-1-3-5-12)11-19-15-10-14(20-21-15)16-6-8-18-9-7-16;;/h1-5,10H,6-9,11H2;1H4;1H/q+1;;/p-1