(5E)-2-[(Z)-(5-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-ethyl-5-[(2Z)-2-(3-ethyl-1,3-benzoselenazol-2-ylidene)ethylidene]-1-phenyl-imidazol-3-ium-4-one iodide

Systemtic Name: (5E)-2-[(Z)-(5-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-ethyl-5-[(2Z)-2-(3-ethyl-1,3-benzoselenazol-2-ylidene)ethylidene]-1-phenyl-imidazol-3-ium-4-one iodide Openeye Name: (5E)-2-[(Z)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-ethyl-5-[(2Z)-2-(3-ethyl-1,3-benzoselenazol-2-ylidene)ethylidene]-1-phenyl-imidazol-3-ium-4-one iodide CAS Name: (5E)-2-[(Z)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-ethyl-5-[(2Z)-2-(3-ethyl-1,3-benzoselenazol-2-ylidene)ethylidene]-1-phenyl-4-imidazol-3-iumone iodide IUPAC Name: (5E)-2-[(Z)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-ethyl-5-[(2Z)-2-(3-ethyl-1,3-benzoselenazol-2-ylidene)ethylidene]-1-phenylimidazol-3-ium-4-one iodide Traditional Name: (5E)-2-[(Z)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-ethyl-5-[(2Z)-2-(3-ethyl-1,3-benzoselenazol-2-ylidene)ethylidene]-1-phenyl-2-imidazolin-3-ium-4-one iodide Formula: C32H30ClIN4OSSe MolecularWeight: 759.98927

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2[Se]C1=CC=C3C(=O)[N+](=C(N3C4=CC=CC=C4)C=C5N(C6=C(S5)C=CC(=C6)Cl)CC)CC.[I-]

Isomeric SMILES

CCN\1C2=CC=CC=C2[Se]/C1=C\C=C\3/C(=O)[N+](=C(N3C4=CC=CC=C4)/C=C\5/N(C6=C(S5)C=CC(=C6)Cl)CC)CC.[I-]

InChI

InChI=1S/C32H30ClN4OSSe.HI/c1-4-34-26-20-22(33)16-18-27(26)39-30(34)21-29-36(6-3)32(38)25(37(29)23-12-8-7-9-13-23)17-19-31-35(5-2)24-14-10-11-15-28(24)40-31;/h7-21H,4-6H2,1-3H3;1H/q+1;/p-1/b25-17+,31-19-;