2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]acetamide Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)C)C(C)(C)C

InChI

InChI=1S/C23H27N5OS/c1-14-8-18(23(3,4)5)9-15(2)19(14)6-7-27-20(29)13-30-22-17(12-25)10-16(11-24)21(26)28-22/h8-10H,6-7,13H2,1-5H3,(H2,26,28)(H,27,29)/p+1