4-[2-[4-(dicyanomethylidene)-2,6-dimethyl-pyridin-1-yl]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-[4-(dicyanomethylidene)-2,6-dimethyl-pyridin-1-yl]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-[4-(dicyanomethylene)-2,6-dimethyl-1-pyridyl]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-N-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[4-(dicyanomethylidene)-2,6-dimethylpyridin-1-yl]ethyl]-N-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-[4-(dicyanomethylene)-2,6-dimethyl-1-pyridyl]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Formula: C23H27N6S+ MolecularWeight: 419.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C#N)C#N)C=C(N1CC[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C#N)C#N)C=C(N1CC[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C23H26N6S/c1-18-14-20(21(16-24)17-25)15-19(2)29(18)13-10-27-8-11-28(12-9-27)23(30)26-22-6-4-3-5-7-22/h3-7,14-15H,8-13H2,1-2H3,(H,26,30)/p+1