sodium 3-cyano-6-methyl-5-pyridin-4-yl-pyridine-2-thiolate

Systemtic Name: sodium 3-cyano-6-methyl-5-pyridin-4-yl-pyridine-2-thiolate Openeye Name: sodium 3-cyano-6-methyl-5-(4-pyridyl)pyridine-2-thiolate CAS Name: sodium 3-cyano-6-methyl-5-pyridin-4-yl-2-pyridinethiolate IUPAC Name: sodium 3-cyano-6-methyl-5-pyridin-4-ylpyridine-2-thiolate Traditional Name: sodium 3-cyano-6-methyl-5-(4-pyridyl)pyridine-2-thiolate Formula: C12H8N3NaS MolecularWeight: 249.26679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)[S-])C#N)C2=CC=NC=C2.[Na+]

Isomeric SMILES

CC1=C(C=C(C(=N1)[S-])C#N)C2=CC=NC=C2.[Na+]

InChI

InChI=1S/C12H9N3S.Na/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8;/h2-6H,1H3,(H,15,16);/q;+1/p-1