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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

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