2-[6-azanyl-4-(4-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanylethanamide

Systemtic Name: 2-[6-azanyl-4-(4-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanylethanamide Openeye Name: 2-[6-amino-4-(4-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanylacetamide CAS Name: 2-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-2-pyridin-1-iumyl]thio]acetamide IUPAC Name: 2-[6-amino-4-(4-chlorophenyl)-3,5-dicyanopyridin-1-ium-2-yl]sulfanylacetamide Traditional Name: 2-[[6-amino-4-(4-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]thio]acetamide Formula: C15H11ClN5OS+ MolecularWeight: 344.79874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC(=O)N)N)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC(=O)N)N)C#N)Cl

InChI

InChI=1S/C15H10ClN5OS/c16-9-3-1-8(2-4-9)13-10(5-17)14(20)21-15(11(13)6-18)23-7-12(19)22/h1-4H,7H2,(H2,19,22)(H2,20,21)/p+1