2-phenacylsulfanyl-6-pyridin-1-ium-3-yl-pyridine-3-carbonitrile

Systemtic Name: 2-phenacylsulfanyl-6-pyridin-1-ium-3-yl-pyridine-3-carbonitrile Openeye Name: 2-phenacylsulfanyl-6-pyridin-1-ium-3-yl-pyridine-3-carbonitrile CAS Name: 2-(phenacylthio)-6-(3-pyridin-1-iumyl)-3-pyridinecarbonitrile IUPAC Name: 2-phenacylsulfanyl-6-pyridin-1-ium-3-ylpyridine-3-carbonitrile Traditional Name: 2-(phenacylthio)-6-pyridin-1-ium-3-yl-nicotinonitrile Formula: C19H14N3OS+ MolecularWeight: 332.39896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=C(C=CC(=N2)C3=C[NH+]=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=C(C=CC(=N2)C3=C[NH+]=CC=C3)C#N

InChI

InChI=1S/C19H13N3OS/c20-11-15-8-9-17(16-7-4-10-21-12-16)22-19(15)24-13-18(23)14-5-2-1-3-6-14/h1-10,12H,13H2/p+1