2-propyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide

Systemtic Name: 2-propyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide Openeye Name: 2-propyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide CAS Name: 2-propyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide IUPAC Name: 2-propyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide Traditional Name: 3-propargyl-2-propyl-2H-1,3-benzothiazole bromide Formula: C13H15BrNS- MolecularWeight: 297.2339

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1N(C2=CC=CC=C2S1)CC#C.[Br-]

Isomeric SMILES

CCCC1N(C2=CC=CC=C2S1)CC#C.[Br-]

InChI

InChI=1S/C13H15NS.BrH/c1-3-7-13-14(10-4-2)11-8-5-6-9-12(11)15-13;/h2,5-6,8-9,13H,3,7,10H2,1H3;1H/p-1