3-methyl-2-(prop-2-ynoxymethyl)-2H-1,3-benzothiazole iodide

Systemtic Name: 3-methyl-2-(prop-2-ynoxymethyl)-2H-1,3-benzothiazole iodide Openeye Name: 3-methyl-2-(prop-2-ynoxymethyl)-2H-1,3-benzothiazole iodide CAS Name: 3-methyl-2-(prop-2-ynoxymethyl)-2H-1,3-benzothiazole iodide IUPAC Name: 3-methyl-2-(prop-2-ynoxymethyl)-2H-1,3-benzothiazole iodide Traditional Name: 3-methyl-2-(propargyloxymethyl)-2H-1,3-benzothiazole iodide Formula: C12H13INOS- MolecularWeight: 346.20719

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(SC2=CC=CC=C21)COCC#C.[I-]

Isomeric SMILES

CN1C(SC2=CC=CC=C21)COCC#C.[I-]

InChI

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