2-[4-(5-fluoranylpyridin-2-yl)but-3-ynyl]-1,3-benzothiazole

Systemtic Name: 2-[4-(5-fluoranylpyridin-2-yl)but-3-ynyl]-1,3-benzothiazole Openeye Name: 2-[4-(5-fluoro-2-pyridyl)but-3-ynyl]-1,3-benzothiazole CAS Name: 2-[4-(5-fluoro-2-pyridinyl)but-3-ynyl]-1,3-benzothiazole IUPAC Name: 2-[4-(5-fluoropyridin-2-yl)but-3-ynyl]-1,3-benzothiazole Traditional Name: 2-[4-(5-fluoro-2-pyridyl)but-3-ynyl]-1,3-benzothiazole Formula: C16H11FN2S MolecularWeight: 282.335343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC#CC3=NC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC#CC3=NC=C(C=C3)F

InChI

InChI=1S/C16H11FN2S/c17-12-9-10-13(18-11-12)5-1-4-8-16-19-14-6-2-3-7-15(14)20-16/h2-3,6-7,9-11H,4,8H2