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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(3-chlorophenyl)methyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(3-chlorophenyl)methyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(3-chlorophenyl)methyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(3-chlorophenyl)methyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(3-chlorobenzyl)acetamide Formula: C16H13ClN5OS+ MolecularWeight: 358.82532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5OS/c17-13-3-1-2-10(4-13)8-21-14(23)9-24-16-12(7-19)5-11(6-18)15(20)22-16/h1-5H,8-9H2,(H2,20,22)(H,21,23)/p+1