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

Systemtic Name: [(1E)-3-(4-bromophenyl)-4,4-dicyano-1-methylsulfanyl-buta-1,3-dienyl]-trimethyl-azanium Openeye Name: [(1E)-3-(4-bromophenyl)-4,4-dicyano-1-methylsulfanyl-buta-1,3-dienyl]-trimethyl-ammonium CAS Name: [(1E)-3-(4-bromophenyl)-4,4-dicyano-1-(methylthio)buta-1,3-dienyl]-trimethylammonium IUPAC Name: [(1E)-3-(4-bromophenyl)-4,4-dicyano-1-methylsulfanylbuta-1,3-dienyl]-trimethylazanium Traditional Name: [(1E)-3-(4-bromophenyl)-4,4-dicyano-1-(methylthio)buta-1,3-dienyl]-trimethyl-ammonium Formula: C16H17BrN3S+ MolecularWeight: 363.29528

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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)Br)SC

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN3S/c1-20(2,3)16(21-4)9-15(13(10-18)11-19)12-5-7-14(17)8-6-12/h5-9H,1-4H3/q+1/b16-9+