1-[4-[(4-bromophenyl)carbamoyl]-2H-1,2,3-thiadiazol-5-ylidene]-2-(methylamino)-2-oxidanylidene-ethanediazonium

Systemtic Name: 1-[4-[(4-bromophenyl)carbamoyl]-2H-1,2,3-thiadiazol-5-ylidene]-2-(methylamino)-2-oxidanylidene-ethanediazonium Openeye Name: 1-[4-[(4-bromophenyl)carbamoyl]-2H-thiadiazol-5-ylidene]-2-(methylamino)-2-oxo-ethanediazonium CAS Name: 1-[4-[(4-bromoanilino)-oxomethyl]-2H-thiadiazol-5-ylidene]-2-(methylamino)-2-oxoethanediazonium IUPAC Name: 1-[4-[(4-bromophenyl)carbamoyl]-2H-thiadiazol-5-ylidene]-2-(methylamino)-2-oxoethanediazonium Traditional Name: 1-[4-[(4-bromophenyl)carbamoyl]-2H-thiadiazol-5-ylidene]-2-keto-2-(methylamino)ethanediazonium Formula: C12H10BrN6O2S+ MolecularWeight: 382.2158

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=C1C(=NNS1)C(=O)NC2=CC=C(C=C2)Br)[N+]#N

Isomeric SMILES

CNC(=O)C(=C1C(=NNS1)C(=O)NC2=CC=C(C=C2)Br)[N+]#N

InChI

InChI=1S/C12H9BrN6O2S/c1-15-11(20)8(17-14)10-9(18-19-22-10)12(21)16-7-4-2-6(13)3-5-7/h2-5H,1H3,(H2-,15,16,19,20,21)/p+1