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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-[(4-chlorophenyl)methyl]ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanyl-N-[(4-chlorophenyl)methyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]-N-[(4-chlorophenyl)methyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]-N-(4-chlorobenzyl)acetamide Formula: C20H15ClN5OS2+ MolecularWeight: 440.949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NCC3=CC=C(C=C3)Cl)N)C#N

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NCC3=CC=C(C=C3)Cl)N)C#N

InChI

InChI=1S/C20H14ClN5OS2/c21-13-5-3-12(4-6-13)10-25-17(27)11-29-20-15(9-23)18(16-2-1-7-28-16)14(8-22)19(24)26-20/h1-7H,10-11H2,(H2,24,26)(H,25,27)/p+1