3-(4-iodanylbutyl)-2-methyl-5-phenyl-2H-1,3-benzothiazole iodide

Systemtic Name: 3-(4-iodanylbutyl)-2-methyl-5-phenyl-2H-1,3-benzothiazole iodide Openeye Name: 3-(4-iodobutyl)-2-methyl-5-phenyl-2H-1,3-benzothiazole iodide CAS Name: 3-(4-iodobutyl)-2-methyl-5-phenyl-2H-1,3-benzothiazole iodide IUPAC Name: 3-(4-iodobutyl)-2-methyl-5-phenyl-2H-1,3-benzothiazole iodide Traditional Name: 3-(4-iodobutyl)-2-methyl-5-phenyl-2H-1,3-benzothiazole iodide Formula: C18H20I2NS- MolecularWeight: 536.23204

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=CC(=C2)C3=CC=CC=C3)CCCCI.[I-]

Isomeric SMILES

CC1N(C2=C(S1)C=CC(=C2)C3=CC=CC=C3)CCCCI.[I-]

InChI

InChI=1S/C18H20INS.HI/c1-14-20(12-6-5-11-19)17-13-16(9-10-18(17)21-14)15-7-3-2-4-8-15;/h2-4,7-10,13-14H,5-6,11-12H2,1H3;1H/p-1