2-(4-pyridin-2-ylbut-3-ynyl)-1,3-benzothiazole

Systemtic Name: 2-(4-pyridin-2-ylbut-3-ynyl)-1,3-benzothiazole Openeye Name: 2-[4-(2-pyridyl)but-3-ynyl]-1,3-benzothiazole CAS Name: 2-[4-(2-pyridinyl)but-3-ynyl]-1,3-benzothiazole IUPAC Name: 2-(4-pyridin-2-ylbut-3-ynyl)-1,3-benzothiazole Traditional Name: 2-[4-(2-pyridyl)but-3-ynyl]-1,3-benzothiazole Formula: C16H12N2S MolecularWeight: 264.34488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC#CC3=CC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC#CC3=CC=CC=N3

InChI

InChI=1S/C16H12N2S/c1(7-13-8-5-6-12-17-13)4-11-16-18-14-9-2-3-10-15(14)19-16/h2-3,5-6,8-10,12H,4,11H2