S-(3-cyano-6-phenyl-pyridin-2-yl) 4-methylbenzenecarbothioate

Systemtic Name: S-(3-cyano-6-phenyl-pyridin-2-yl) 4-methylbenzenecarbothioate Openeye Name: S-(3-cyano-6-phenyl-2-pyridyl) 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-(3-cyano-6-phenyl-2-pyridinyl) ester IUPAC Name: S-(3-cyano-6-phenylpyridin-2-yl) 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-(3-cyano-6-phenyl-2-pyridyl) ester Formula: C20H14N2OS MolecularWeight: 330.40296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H14N2OS/c1-14-7-9-16(10-8-14)20(23)24-19-17(13-21)11-12-18(22-19)15-5-3-2-4-6-15/h2-12H,1H3