2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(2S)-6-methylheptan-2-yl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(2S)-6-methylheptan-2-yl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1S)-1,5-dimethylhexyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(2S)-6-methylheptan-2-yl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2S)-6-methylheptan-2-yl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[(1S)-1,5-dimethylhexyl]acetamide Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)CSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)CSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

InChI

InChI=1S/C17H23N5OS/c1-11(2)5-4-6-12(3)21-15(23)10-24-17-14(9-19)7-13(8-18)16(20)22-17/h7,11-12H,4-6,10H2,1-3H3,(H2,20,22)(H,21,23)/p+1/t12-/m0/s1