3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium iodide Openeye Name: 3-methyl-2-[(E)-2-(3-nitrophenyl)vinyl]-1,3-benzothiazol-3-ium iodide CAS Name: 3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium iodide Traditional Name: 3-methyl-2-[(E)-2-(3-nitrophenyl)vinyl]-1,3-benzothiazol-3-ium iodide Formula: C16H13IN2O2S MolecularWeight: 424.25609

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC(=CC=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC(=CC=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C16H13N2O2S.HI/c1-17-14-7-2-3-8-15(14)21-16(17)10-9-12-5-4-6-13(11-12)18(19)20;/h2-11H,1H3;1H/q+1;/p-1/b10-9+;