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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[[5-(4-chlorophenyl)-2-furyl]methyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[[5-(4-chlorophenyl)-2-furanyl]methyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[[5-(4-chlorophenyl)-2-furyl]methyl]acetamide Formula: C20H15ClN5O2S+ MolecularWeight: 424.8834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)CNC(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)CNC(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N)Cl

InChI

InChI=1S/C20H14ClN5O2S/c21-15-3-1-12(2-4-15)17-6-5-16(28-17)10-25-18(27)11-29-20-14(9-23)7-13(8-22)19(24)26-20/h1-7H,10-11H2,(H2,24,26)(H,25,27)/p+1