3-cyano-4,6-dimethyl-5-(phenylmethyl)pyridine-2-thiolate

Systemtic Name: 3-cyano-4,6-dimethyl-5-(phenylmethyl)pyridine-2-thiolate Openeye Name: 5-benzyl-3-cyano-4,6-dimethyl-pyridine-2-thiolate CAS Name: 3-cyano-4,6-dimethyl-5-(phenylmethyl)-2-pyridinethiolate IUPAC Name: 5-benzyl-3-cyano-4,6-dimethylpyridine-2-thiolate Traditional Name: 5-benzyl-3-cyano-4,6-dimethyl-pyridine-2-thiolate Formula: C15H13N2S- MolecularWeight: 253.34212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1CC2=CC=CC=C2)C)[S-])C#N

Isomeric SMILES

CC1=C(C(=NC(=C1CC2=CC=CC=C2)C)[S-])C#N

InChI

InChI=1S/C15H14N2S/c1-10-13(8-12-6-4-3-5-7-12)11(2)17-15(18)14(10)9-16/h3-7H,8H2,1-2H3,(H,17,18)/p-1