(3-cyano-4,6-dimethyl-pyridin-2-yl) N-(phenylcarbonyl)carbamodithioate

Systemtic Name: (3-cyano-4,6-dimethyl-pyridin-2-yl) N-(phenylcarbonyl)carbamodithioate Openeye Name: (3-cyano-4,6-dimethyl-2-pyridyl) N-benzoylcarbamodithioate CAS Name: N-benzoylcarbamodithioic acid (3-cyano-4,6-dimethyl-2-pyridinyl) ester IUPAC Name: (3-cyano-4,6-dimethylpyridin-2-yl) N-benzoylcarbamodithioate Traditional Name: N-benzoylcarbamodithioic acid (3-cyano-4,6-dimethyl-2-pyridyl) ester Formula: C16H13N3OS2 MolecularWeight: 327.42392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(=S)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC(=S)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H13N3OS2/c1-10-8-11(2)18-15(13(10)9-17)22-16(21)19-14(20)12-6-4-3-5-7-12/h3-8H,1-2H3,(H,19,20,21)