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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(5-chloranyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(5-chloro-2-methoxyphenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C16H13ClN5O2S+ MolecularWeight: 374.82472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C16H12ClN5O2S/c1-24-13-3-2-11(17)5-12(13)21-14(23)8-25-16-10(7-19)4-9(6-18)15(20)22-16/h2-5H,8H2,1H3,(H2,20,22)(H,21,23)/p+1