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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(2-methylpropyl)pyridin-1-ium-2-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-4-isobutyl-pyridin-1-ium-2-yl)sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(2-methylpropyl)-2-pyridin-1-iumyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(2-methylpropyl)pyridin-1-ium-2-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-isobutyl-pyridin-1-ium-2-yl)thio]-N,N-diethyl-acetamide Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5OS/c1-5-22(6-2)15(23)10-24-17-14(9-19)12(7-11(3)4)13(8-18)16(20)21-17/h11H,5-7,10H2,1-4H3,(H2,20,21)/p+1