2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(4-propan-2-ylphenyl)ethyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(4-propan-2-ylphenyl)ethyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(4-isopropylphenyl)ethyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(2-p-cumenylethyl)acetamide Formula: C20H22N5OS+ MolecularWeight: 380.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCNC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCNC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C20H21N5OS/c1-13(2)15-5-3-14(4-6-15)7-8-24-18(26)12-27-20-17(11-22)9-16(10-21)19(23)25-20/h3-6,9,13H,7-8,12H2,1-2H3,(H2,23,25)(H,24,26)/p+1