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

Systemtic Name: 3-bromanyl-5-(2-pyridin-2-ylethynyl)-1,2-thiazole-4-carbonitrile Openeye Name: 3-bromo-5-[2-(2-pyridyl)ethynyl]isothiazole-4-carbonitrile CAS Name: 3-bromo-5-[2-(2-pyridinyl)ethynyl]-4-isothiazolecarbonitrile IUPAC Name: 3-bromo-5-(2-pyridin-2-ylethynyl)-1,2-thiazole-4-carbonitrile Traditional Name: 3-bromo-5-[2-(2-pyridyl)ethynyl]isothiazole-4-carbonitrile Formula: C11H4BrN3S MolecularWeight: 290.13856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=C(C(=NS2)Br)C#N

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=C(C(=NS2)Br)C#N

InChI

InChI=1S/C11H4BrN3S/c12-11-9(7-13)10(16-15-11)5-4-8-3-1-2-6-14-8/h1-3,6H