5-methoxy-6-methyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide

Systemtic Name: 5-methoxy-6-methyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide Openeye Name: 5-methoxy-6-methyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide CAS Name: 5-methoxy-6-methyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide IUPAC Name: 5-methoxy-6-methyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide Traditional Name: 5-methoxy-6-methyl-3-propargyl-2H-1,3-benzothiazole bromide Formula: C12H13BrNOS- MolecularWeight: 299.20672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1OC)N(CS2)CC#C.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1OC)N(CS2)CC#C.[Br-]

InChI

InChI=1S/C12H13NOS.BrH/c1-4-5-13-8-15-12-6-9(2)11(14-3)7-10(12)13;/h1,6-7H,5,8H2,2-3H3;1H/p-1