(5E)-1,3-diethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-imidazol-3-ium-4-one iodide

Systemtic Name: (5E)-1,3-diethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-imidazol-3-ium-4-one iodide Openeye Name: (5E)-1,3-diethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-imidazol-3-ium-4-one iodide CAS Name: (5E)-1,3-diethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)-4-imidazol-3-iumone iodide IUPAC Name: (5E)-1,3-diethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylimidazol-3-ium-4-one iodide Traditional Name: (5E)-1,3-diethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)-2-imidazolin-3-ium-4-one iodide Formula: C16H20IN3OS2 MolecularWeight: 461.38397

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2N(C3=CC=CC=C3S2)C)C(=O)[N+](=C1SC)CC.[I-]

Isomeric SMILES

CCN1/C(=C/2\N(C3=CC=CC=C3S2)C)/C(=O)[N+](=C1SC)CC.[I-]

InChI

InChI=1S/C16H20N3OS2.HI/c1-5-18-13(14(20)19(6-2)16(18)21-4)15-17(3)11-9-7-8-10-12(11)22-15;/h7-10H,5-6H2,1-4H3;1H/q+1;/p-1/b15-13+;