4,6-dimethyl-2-sulfanyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-sulfanyl-pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-dimethyl-2-sulfanyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-mercapto-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-dimethyl-2-sulfanylpyridin-1-ium-3-carbonitrile Traditional Name: 2-mercapto-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C8H9N2S+ MolecularWeight: 165.23546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)S)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)S)C

InChI

InChI=1S/C8H8N2S/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11)/p+1