3-(4-bromanylbut-2-ynyl)-5-chloranyl-2-methyl-2H-1,3-benzothiazole bromide

Systemtic Name: 3-(4-bromanylbut-2-ynyl)-5-chloranyl-2-methyl-2H-1,3-benzothiazole bromide Openeye Name: 3-(4-bromobut-2-ynyl)-5-chloro-2-methyl-2H-1,3-benzothiazole bromide CAS Name: 3-(4-bromobut-2-ynyl)-5-chloro-2-methyl-2H-1,3-benzothiazole bromide IUPAC Name: 3-(4-bromobut-2-ynyl)-5-chloro-2-methyl-2H-1,3-benzothiazole bromide Traditional Name: 3-(4-bromobut-2-ynyl)-5-chloro-2-methyl-2H-1,3-benzothiazole bromide Formula: C12H11Br2ClNS- MolecularWeight: 396.54844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrClNS.BrH/c1-9-15(7-3-2-6-13)11-8-10(14)4-5-12(11)16-9;/h4-5,8-9H,6-7H2,1H3;1H/p-1