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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)C

InChI

InChI=1S/C18H17N5OS/c1-3-12-6-4-5-11(2)16(12)22-15(24)10-25-18-14(9-20)7-13(8-19)17(21)23-18/h4-7H,3,10H2,1-2H3,(H2,21,23)(H,22,24)/p+1