S-(4-methylphenyl) 5-(2-phenylethynyl)pyridine-3-carbothioate

Systemtic Name: S-(4-methylphenyl) 5-(2-phenylethynyl)pyridine-3-carbothioate Openeye Name: S-(p-tolyl) 5-(2-phenylethynyl)pyridine-3-carbothioate CAS Name: 5-(2-phenylethynyl)-3-pyridinecarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 5-(2-phenylethynyl)pyridine-3-carbothioate Traditional Name: 5-(2-phenylethynyl)pyridine-3-carbothioic acid S-(p-tolyl) ester Formula: C21H15NOS MolecularWeight: 329.4149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C2=CN=CC(=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C2=CN=CC(=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C21H15NOS/c1-16-7-11-20(12-8-16)24-21(23)19-13-18(14-22-15-19)10-9-17-5-3-2-4-6-17/h2-8,11-15H,1H3