2,6-dimethyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide

Systemtic Name: 2,6-dimethyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide Openeye Name: 2,6-dimethyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide CAS Name: 2,6-dimethyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide IUPAC Name: 2,6-dimethyl-3-prop-2-ynyl-2H-1,3-benzothiazole bromide Traditional Name: 2,6-dimethyl-3-propargyl-2H-1,3-benzothiazole bromide Formula: C12H13BrNS- MolecularWeight: 283.20732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NS.BrH/c1-4-7-13-10(3)14-12-8-9(2)5-6-11(12)13;/h1,5-6,8,10H,7H2,2-3H3;1H/p-1