2-[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-pyridin-2-yl]sulfanylethyl-dimethyl-azanium

Systemtic Name: 2-[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-pyridin-2-yl]sulfanylethyl-dimethyl-azanium Openeye Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)-2-pyridyl]sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]thio]ethyl-dimethylammonium IUPAC Name: 2-[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-ylpyridin-2-yl]sulfanylethyl-dimethylazanium Traditional Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)-2-pyridyl]thio]ethyl-dimethyl-ammonium Formula: C20H19ClN3S2+ MolecularWeight: 400.96796

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C[NH+](C)CCSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H18ClN3S2/c1-24(2)9-11-26-20-17(13-22)16(14-5-7-15(21)8-6-14)12-18(23-20)19-4-3-10-25-19/h3-8,10,12H,9,11H2,1-2H3/p+1