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

Systemtic Name: 4-[2-[4-(dicyanomethylidene)-2,6-dimethyl-pyridin-1-yl]ethyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-[4-(dicyanomethylene)-2,6-dimethyl-1-pyridyl]ethyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-N-(4-methoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[4-(dicyanomethylidene)-2,6-dimethylpyridin-1-yl]ethyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-[4-(dicyanomethylene)-2,6-dimethyl-1-pyridyl]ethyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C24H29N6OS+ MolecularWeight: 449.59166

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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=C(C=C3)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6OS/c1-18-14-20(21(16-25)17-26)15-19(2)30(18)13-10-28-8-11-29(12-9-28)24(32)27-22-4-6-23(31-3)7-5-22/h4-7,14-15H,8-13H2,1-3H3,(H,27,32)/p+1