S-(3-cyano-6-methyl-pyridin-2-yl) 4-methoxybenzenecarbothioate

Systemtic Name: S-(3-cyano-6-methyl-pyridin-2-yl) 4-methoxybenzenecarbothioate Openeye Name: S-(3-cyano-6-methyl-2-pyridyl) 4-methoxybenzenecarbothioate CAS Name: 4-methoxybenzenecarbothioic acid S-(3-cyano-6-methyl-2-pyridinyl) ester IUPAC Name: S-(3-cyano-6-methylpyridin-2-yl) 4-methoxybenzenecarbothioate Traditional Name: 4-methoxythiobenzoic acid S-(3-cyano-6-methyl-2-pyridyl) ester Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H12N2O2S/c1-10-3-4-12(9-16)14(17-10)20-15(18)11-5-7-13(19-2)8-6-11/h3-8H,1-2H3