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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5OS2/c1-3-22(4-2)14(23)10-25-17-12(9-19)15(13-6-5-7-24-13)11(8-18)16(20)21-17/h5-7H,3-4,10H2,1-2H3,(H2,20,21)/p+1