2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(3-methoxyphenyl)methyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-m-anisyl-acetamide Formula: C17H16N5O2S+ MolecularWeight: 354.40624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C17H15N5O2S/c1-24-14-4-2-3-11(5-14)9-21-15(23)10-25-17-13(8-19)6-12(7-18)16(20)22-17/h2-6H,9-10H2,1H3,(H2,20,22)(H,21,23)/p+1