5-phenyl-3-(2-pyridin-2-ylethynyl)-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-phenyl-3-(2-pyridin-2-ylethynyl)-1,2-thiazole-4-carbonitrile Openeye Name: 5-phenyl-3-[2-(2-pyridyl)ethynyl]isothiazole-4-carbonitrile CAS Name: 5-phenyl-3-[2-(2-pyridinyl)ethynyl]-4-isothiazolecarbonitrile IUPAC Name: 5-phenyl-3-(2-pyridin-2-ylethynyl)-1,2-thiazole-4-carbonitrile Traditional Name: 5-phenyl-3-[2-(2-pyridyl)ethynyl]isothiazole-4-carbonitrile Formula: C17H9N3S MolecularWeight: 287.33846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NS2)C#CC3=CC=CC=N3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NS2)C#CC3=CC=CC=N3)C#N

InChI

InChI=1S/C17H9N3S/c18-12-15-16(10-9-14-8-4-5-11-19-14)20-21-17(15)13-6-2-1-3-7-13/h1-8,11H