(2E)-2-[(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)methylidene]-3-methyl-6-nitro-1,3-benzothiazole iodide

Systemtic Name: (2E)-2-[(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)methylidene]-3-methyl-6-nitro-1,3-benzothiazole iodide Openeye Name: (2E)-2-[(3-ethyl-4,5-dihydrothiazol-3-ium-2-yl)methylene]-3-methyl-6-nitro-1,3-benzothiazole iodide CAS Name: (2E)-2-[(3-ethyl-4,5-dihydrothiazol-3-ium-2-yl)methylidene]-3-methyl-6-nitro-1,3-benzothiazole iodide IUPAC Name: (2E)-2-[(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)methylidene]-3-methyl-6-nitro-1,3-benzothiazole iodide Traditional Name: (2E)-2-[(3-ethyl-2-thiazolin-3-ium-2-yl)methylene]-3-methyl-6-nitro-1,3-benzothiazole iodide Formula: C14H16IN3O2S2 MolecularWeight: 449.33021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SCC1)C=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])C.[I-]

Isomeric SMILES

CC[N+]1=C(SCC1)/C=C/2\N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])C.[I-]

InChI

InChI=1S/C14H16N3O2S2.HI/c1-3-16-6-7-20-14(16)9-13-15(2)11-5-4-10(17(18)19)8-12(11)21-13;/h4-5,8-9H,3,6-7H2,1-2H3;1H/q+1;/p-1