2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-tert-butyl-ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-tert-butyl-ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanyl-N-tert-butyl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]-N-tert-butylacetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanyl-N-tert-butylacetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]-N-tert-butyl-acetamide Formula: C17H18N5OS2+ MolecularWeight: 372.48772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CS2)C#N

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CS2)C#N

InChI

InChI=1S/C17H17N5OS2/c1-17(2,3)22-13(23)9-25-16-11(8-19)14(12-5-4-6-24-12)10(7-18)15(20)21-16/h4-6H,9H2,1-3H3,(H2,20,21)(H,22,23)/p+1