3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium iodide Formula: C16H16INS MolecularWeight: 381.27441

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C16H16NS.HI/c1-3-17-12(2)18-16-10-9-14(11-15(16)17)13-7-5-4-6-8-13;/h4-11H,3H2,1-2H3;1H/q+1;/p-1