2-azanyl-6-[(6-chloranylpyridin-3-yl)methylsulfanyl]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(6-chloranylpyridin-3-yl)methylsulfanyl]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(6-chloro-3-pyridyl)methylsulfanyl]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(6-chloro-3-pyridinyl)methylthio]-4-phenylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(6-chloropyridin-3-yl)methylsulfanyl]-4-phenylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(6-chloro-3-pyridyl)methylthio]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C19H13ClN5S+ MolecularWeight: 378.85802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC3=CN=C(C=C3)Cl)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC3=CN=C(C=C3)Cl)N)C#N

InChI

InChI=1S/C19H12ClN5S/c20-16-7-6-12(10-24-16)11-26-19-15(9-22)17(13-4-2-1-3-5-13)14(8-21)18(23)25-19/h1-7,10H,11H2,(H2,23,25)/p+1