5,6,7-trimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-imine hydrobromide

Systemtic Name: 5,6,7-trimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-imine hydrobromide Openeye Name: 5,6,7-trimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-imine hydrobromide CAS Name: 5,6,7-trimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-imine hydrobromide IUPAC Name: 5,6,7-trimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-imine hydrobromide Traditional Name: (5,6,7-trimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)amine hydrobromide Formula: C13H15BrN2O3S MolecularWeight: 359.2388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N(C(=N)S2)CC#C)OC)OC.Br

Isomeric SMILES

COC1=C(C(=C2C(=C1)N(C(=N)S2)CC#C)OC)OC.Br

InChI

InChI=1S/C13H14N2O3S.BrH/c1-5-6-15-8-7-9(16-2)10(17-3)11(18-4)12(8)19-13(15)14;/h1,7,14H,6H2,2-4H3;1H