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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-ethyl-N-(phenylmethyl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-benzyl-N-ethyl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-ethyl-N-(phenylmethyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-benzyl-N-ethylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-benzyl-N-ethyl-acetamide Formula: C18H18N5OS+ MolecularWeight: 352.43342

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C18H17N5OS/c1-2-23(11-13-6-4-3-5-7-13)16(24)12-25-18-15(10-20)8-14(9-19)17(21)22-18/h3-8H,2,11-12H2,1H3,(H2,21,22)/p+1