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

Systemtic Name: (5E)-3-ethyl-5-[3-[(4-iodophenyl)methyl]-1,3-benzothiazol-2-ylidene]-2-methylsulfanyl-1,3-thiazol-3-ium-4-one Openeye Name: (5E)-3-ethyl-5-[3-[(4-iodophenyl)methyl]-1,3-benzothiazol-2-ylidene]-2-methylsulfanyl-thiazol-3-ium-4-one CAS Name: (5E)-3-ethyl-5-[3-[(4-iodophenyl)methyl]-1,3-benzothiazol-2-ylidene]-2-(methylthio)-4-thiazol-3-iumone IUPAC Name: (5E)-3-ethyl-5-[3-[(4-iodophenyl)methyl]-1,3-benzothiazol-2-ylidene]-2-methylsulfanyl-1,3-thiazol-3-ium-4-one Traditional Name: (5E)-3-ethyl-5-[3-(4-iodobenzyl)-1,3-benzothiazol-2-ylidene]-2-(methylthio)-2-thiazolin-3-ium-4-one Formula: C20H18IN2OS3+ MolecularWeight: 525.46919

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC(=C2N(C3=CC=CC=C3S2)CC4=CC=C(C=C4)I)C1=O)SC

Isomeric SMILES

CC[N+]1=C(S/C(=C/2\N(C3=CC=CC=C3S2)CC4=CC=C(C=C4)I)/C1=O)SC

InChI

InChI=1S/C20H18IN2OS3/c1-3-22-18(24)17(27-20(22)25-2)19-23(12-13-8-10-14(21)11-9-13)15-6-4-5-7-16(15)26-19/h4-11H,3,12H2,1-2H3/q+1/b19-17+