1-benzothiophen-3-yl-[4-(1-benzothiophen-3-ylcarbonyl)-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl]methanone

Systemtic Name: 1-benzothiophen-3-yl-[4-(1-benzothiophen-3-ylcarbonyl)-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl]methanone Openeye Name: [4-(benzothiophene-3-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(benzothiophen-3-yl)methanone CAS Name: 1-benzothiophen-3-yl-[4-[1-benzothiophen-3-yl(oxo)methyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]methanone IUPAC Name: [4-(1-benzothiophene-3-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(1-benzothiophen-3-yl)methanone Traditional Name: [4-(benzothiophene-3-carbonyl)-5-oxido-furazan-5-ium-3-yl]-(benzothiophen-3-yl)methanone Formula: C20H10N2O4S2 MolecularWeight: 406.4344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)C(=O)C3=NO[N+](=C3C(=O)C4=CSC5=CC=CC=C54)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)C(=O)C3=NO[N+](=C3C(=O)C4=CSC5=CC=CC=C54)[O-]

InChI

InChI=1S/C20H10N2O4S2/c23-19(13-9-27-15-7-3-1-5-11(13)15)17-18(22(25)26-21-17)20(24)14-10-28-16-8-4-2-6-12(14)16/h1-10H