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

Systemtic Name: S-(4-chlorophenyl) 5-(2-phenylethynyl)pyridine-3-carbothioate Openeye Name: S-(4-chlorophenyl) 5-(2-phenylethynyl)pyridine-3-carbothioate CAS Name: 5-(2-phenylethynyl)-3-pyridinecarbothioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 5-(2-phenylethynyl)pyridine-3-carbothioate Traditional Name: 5-(2-phenylethynyl)pyridine-3-carbothioic acid S-(4-chlorophenyl) ester Formula: C20H12ClNOS MolecularWeight: 349.83338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H12ClNOS/c21-18-8-10-19(11-9-18)24-20(23)17-12-16(13-22-14-17)7-6-15-4-2-1-3-5-15/h1-5,8-14H