2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(cyclopropylmethyl)-N-propyl-ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(cyclopropylmethyl)-N-propyl-ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(cyclopropylmethyl)-N-propyl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(cyclopropylmethyl)-N-propylacetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(cyclopropylmethyl)-N-propylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(cyclopropylmethyl)-N-propyl-acetamide Formula: C16H20N5OS+ MolecularWeight: 330.4279

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

CCCN(CC1CC1)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C16H19N5OS/c1-2-5-21(9-11-3-4-11)14(22)10-23-16-13(8-18)6-12(7-17)15(19)20-16/h6,11H,2-5,9-10H2,1H3,(H2,19,20)/p+1