2-methyl-5-prop-2-ynoxy-3-prop-2-ynyl-2H-1,3-benzothiazole bromide

Systemtic Name: 2-methyl-5-prop-2-ynoxy-3-prop-2-ynyl-2H-1,3-benzothiazole bromide Openeye Name: 2-methyl-5-prop-2-ynoxy-3-prop-2-ynyl-2H-1,3-benzothiazole bromide CAS Name: 2-methyl-5-prop-2-ynoxy-3-prop-2-ynyl-2H-1,3-benzothiazole bromide IUPAC Name: 2-methyl-5-prop-2-ynoxy-3-prop-2-ynyl-2H-1,3-benzothiazole bromide Traditional Name: 2-methyl-3-propargyl-5-propargyloxy-2H-1,3-benzothiazole bromide Formula: C14H13BrNOS- MolecularWeight: 323.22812

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=CC(=C2)OCC#C)CC#C.[Br-]

Isomeric SMILES

CC1N(C2=C(S1)C=CC(=C2)OCC#C)CC#C.[Br-]

InChI

InChI=1S/C14H13NOS.BrH/c1-4-8-15-11(3)17-14-7-6-12(10-13(14)15)16-9-5-2;/h1-2,6-7,10-11H,8-9H2,3H3;1H/p-1