(5Z)-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-3-methyl-2-methylsulfanyl-1,3-thiazol-3-ium-4-one iodide

Systemtic Name: (5Z)-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-3-methyl-2-methylsulfanyl-1,3-thiazol-3-ium-4-one iodide Openeye Name: (5Z)-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-3-methyl-2-methylsulfanyl-thiazol-3-ium-4-one iodide CAS Name: (5Z)-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-3-methyl-2-(methylthio)-4-thiazol-3-iumone iodide IUPAC Name: (5Z)-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-3-methyl-2-methylsulfanyl-1,3-thiazol-3-ium-4-one iodide Traditional Name: (5Z)-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-3-methyl-2-(methylthio)-2-thiazolin-3-ium-4-one iodide Formula: C16H17IN2O2S2 MolecularWeight: 460.35285

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC1=CC=C3C(=O)[N+](=C(S3)SC)C.[I-]

Isomeric SMILES

CCN\1C2=CC=CC=C2O/C1=C\C=C/3\C(=O)[N+](=C(S3)SC)C.[I-]

InChI

InChI=1S/C16H17N2O2S2.HI/c1-4-18-11-7-5-6-8-12(11)20-14(18)10-9-13-15(19)17(2)16(21-3)22-13;/h5-10H,4H2,1-3H3;1H/q+1;/p-1/b13-9-,14-10-;