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

Systemtic Name: (5E)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one iodide Openeye Name: (5E)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-thiazol-3-ium-4-one iodide CAS Name: (5E)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)-4-thiazol-3-iumone iodide IUPAC Name: (5E)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one iodide Traditional Name: (5E)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)-2-thiazolin-3-ium-4-one iodide Formula: C14H15IN2OS3 MolecularWeight: 450.38117

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC(=C2N(C3=CC=CC=C3S2)C)C1=O)SC.[I-]

Isomeric SMILES

CC[N+]1=C(S/C(=C/2\N(C3=CC=CC=C3S2)C)/C1=O)SC.[I-]

InChI

InChI=1S/C14H15N2OS3.HI/c1-4-16-12(17)11(20-14(16)18-3)13-15(2)9-7-5-6-8-10(9)19-13;/h5-8H,4H2,1-3H3;1H/q+1;/p-1/b13-11+;