S-thiophen-2-yl 5-(2-phenylethynyl)pyridine-3-carbothioate

Systemtic Name: S-thiophen-2-yl 5-(2-phenylethynyl)pyridine-3-carbothioate Openeye Name: S-(2-thienyl) 5-(2-phenylethynyl)pyridine-3-carbothioate CAS Name: 5-(2-phenylethynyl)-3-pyridinecarbothioic acid S-thiophen-2-yl ester IUPAC Name: S-thiophen-2-yl 5-(2-phenylethynyl)pyridine-3-carbothioate Traditional Name: 5-(2-phenylethynyl)pyridine-3-carbothioic acid S-(2-thienyl) ester Formula: C18H11NOS2 MolecularWeight: 321.41604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)SC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)SC3=CC=CS3

InChI

InChI=1S/C18H11NOS2/c20-18(22-17-7-4-10-21-17)16-11-15(12-19-13-16)9-8-14-5-2-1-3-6-14/h1-7,10-13H