S-(3-cyano-4,6-dimethyl-pyridin-2-yl) benzenecarbothioate

Systemtic Name: S-(3-cyano-4,6-dimethyl-pyridin-2-yl) benzenecarbothioate Openeye Name: S-(3-cyano-4,6-dimethyl-2-pyridyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(3-cyano-4,6-dimethyl-2-pyridinyl) ester IUPAC Name: S-(3-cyano-4,6-dimethylpyridin-2-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(3-cyano-4,6-dimethyl-2-pyridyl) ester Formula: C15H12N2OS MolecularWeight: 268.33358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2OS/c1-10-8-11(2)17-14(13(10)9-16)19-15(18)12-6-4-3-5-7-12/h3-8H,1-2H3