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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5OS/c1-23(9-11-2-4-14(18)5-3-11)15(24)10-25-17-13(8-20)6-12(7-19)16(21)22-17/h2-6H,9-10H2,1H3,(H2,21,22)/p+1