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

Systemtic Name: S-(3-cyano-6-methyl-pyridin-2-yl) 4-chloranylbenzenecarbothioate Openeye Name: S-(3-cyano-6-methyl-2-pyridyl) 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic acid S-(3-cyano-6-methyl-2-pyridinyl) ester IUPAC Name: S-(3-cyano-6-methylpyridin-2-yl) 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-(3-cyano-6-methyl-2-pyridyl) ester Formula: C14H9ClN2OS MolecularWeight: 288.75206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClN2OS/c1-9-2-3-11(8-16)13(17-9)19-14(18)10-4-6-12(15)7-5-10/h2-7H,1H3