2-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile dihydrochloride

Systemtic Name: 2-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile dihydrochloride Openeye Name: 2-(3-pyridylmethylsulfanyl)pyridine-3,5-dicarbonitrile dihydrochloride CAS Name: 2-(3-pyridinylmethylthio)pyridine-3,5-dicarbonitrile dihydrochloride IUPAC Name: 2-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile dihydrochloride Traditional Name: 2-(3-pyridylmethylthio)dinicotinonitrile dihydrochloride Formula: C13H10Cl2N4S MolecularWeight: 325.2163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=C(C=C(C=N2)C#N)C#N.Cl.Cl

Isomeric SMILES

C1=CC(=CN=C1)CSC2=C(C=C(C=N2)C#N)C#N.Cl.Cl

InChI

InChI=1S/C13H8N4S.2ClH/c14-5-11-4-12(6-15)13(17-8-11)18-9-10-2-1-3-16-7-10;;/h1-4,7-8H,9H2;2*1H