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

Systemtic Name: 2-azanyl-6-[(6-chloranylpyridin-3-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(6-chloro-3-pyridyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(6-chloro-3-pyridinyl)methylthio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(6-chloropyridin-3-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(6-chloro-3-pyridyl)methylthio]pyridin-1-ium-3,5-dicarbonitrile Formula: C13H9ClN5S+ MolecularWeight: 302.76206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)Cl

Isomeric SMILES

C1=CC(=NC=C1CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)Cl

InChI

InChI=1S/C13H8ClN5S/c14-11-2-1-8(6-18-11)7-20-13-10(5-16)3-9(4-15)12(17)19-13/h1-3,6H,7H2,(H2,17,19)/p+1