2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridin-1-iumyl)thio]-N-phenylacetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-phenylpyridin-1-ium-2-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)thio]-N-phenyl-acetamide Formula: C21H16N5OS+ MolecularWeight: 386.44964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=CC=C3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C21H15N5OS/c22-11-16-19(14-7-3-1-4-8-14)17(12-23)21(26-20(16)24)28-13-18(27)25-15-9-5-2-6-10-15/h1-10H,13H2,(H2,24,26)(H,25,27)/p+1