(2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-1,3-benzoxazole iodide

Systemtic Name: (2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-1,3-benzoxazole iodide Openeye Name: (2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-1,3-benzoxazole iodide CAS Name: (2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-1,3-benzoxazole iodide IUPAC Name: (2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-1,3-benzoxazole iodide Traditional Name: (2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-1,3-benzoxazole iodide Formula: C20H19IN2OS MolecularWeight: 462.34713

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=CC=C3N(C4=CC=CC=C4O3)C.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/C=C\3/N(C4=CC=CC=C4O3)C.[I-]

InChI

InChI=1S/C20H19N2OS.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-8-13-19-21(2)15-9-4-6-11-17(15)23-19;/h4-14H,3H2,1-2H3;1H/q+1;/p-1