2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(4-chlorophenyl)ethyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(4-chlorophenyl)ethyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[2-(4-chlorophenyl)ethyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[2-(4-chlorophenyl)ethyl]acetamide Formula: C17H15ClN5OS+ MolecularWeight: 372.8519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)Cl

InChI

InChI=1S/C17H14ClN5OS/c18-14-3-1-11(2-4-14)5-6-22-15(24)10-25-17-13(9-20)7-12(8-19)16(21)23-17/h1-4,7H,5-6,10H2,(H2,21,23)(H,22,24)/p+1