[(1E)-4,4-dicyano-1-methylsulfanyl-3-(4-nitrophenyl)buta-1,3-dienyl]-trimethyl-azanium

Systemtic Name: [(1E)-4,4-dicyano-1-methylsulfanyl-3-(4-nitrophenyl)buta-1,3-dienyl]-trimethyl-azanium Openeye Name: [(1E)-4,4-dicyano-1-methylsulfanyl-3-(4-nitrophenyl)buta-1,3-dienyl]-trimethyl-ammonium CAS Name: [(1E)-4,4-dicyano-1-(methylthio)-3-(4-nitrophenyl)buta-1,3-dienyl]-trimethylammonium IUPAC Name: [(1E)-4,4-dicyano-1-methylsulfanyl-3-(4-nitrophenyl)buta-1,3-dienyl]-trimethylazanium Traditional Name: [(1E)-4,4-dicyano-1-(methylthio)-3-(4-nitrophenyl)buta-1,3-dienyl]-trimethyl-ammonium Formula: C16H17N4O2S+ MolecularWeight: 329.39678

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(=CC(=C(C#N)C#N)C1=CC=C(C=C1)[N+](=O)[O-])SC

Isomeric SMILES

C[N+](C)(C)/C(=C\C(=C(C#N)C#N)C1=CC=C(C=C1)[N+](=O)[O-])/SC

InChI

InChI=1S/C16H17N4O2S/c1-20(2,3)16(23-4)9-15(13(10-17)11-18)12-5-7-14(8-6-12)19(21)22/h5-9H,1-4H3/q+1/b16-9+