diethyl-[4-(phenylcarbonyl)-1,3-dithiol-2-ylidene]azanium bromide

Systemtic Name: diethyl-[4-(phenylcarbonyl)-1,3-dithiol-2-ylidene]azanium bromide Openeye Name: (4-benzoyl-1,3-dithiol-2-ylidene)-diethyl-ammonium bromide CAS Name: (4-benzoyl-1,3-dithiol-2-ylidene)-diethylammonium bromide IUPAC Name: (4-benzoyl-1,3-dithiol-2-ylidene)-diethylazanium bromide Traditional Name: (4-benzoyl-1,3-dithiol-2-ylidene)-diethyl-ammonium bromide Formula: C14H16BrNOS2 MolecularWeight: 358.31694

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C1SC=C(S1)C(=O)C2=CC=CC=C2)CC.[Br-]

Isomeric SMILES

CC[N+](=C1SC=C(S1)C(=O)C2=CC=CC=C2)CC.[Br-]

InChI

InChI=1S/C14H16NOS2.BrH/c1-3-15(4-2)14-17-10-12(18-14)13(16)11-8-6-5-7-9-11;/h5-10H,3-4H2,1-2H3;1H/q+1;/p-1