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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(3,5-dimethylphenyl)acetamide Formula: C17H16N5OS+ MolecularWeight: 338.40684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5OS/c1-10-3-11(2)5-14(4-10)21-15(23)9-24-17-13(8-19)6-12(7-18)16(20)22-17/h3-6H,9H2,1-2H3,(H2,20,22)(H,21,23)/p+1