1-[(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-5-yl]ethanone

Systemtic Name: 1-[(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-5-yl]ethanone Openeye Name: 1-[(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazol-5-yl]ethanone CAS Name: 1-[(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-5-yl]ethanone IUPAC Name: 1-[(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-5-yl]ethanone Traditional Name: 1-[(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazol-5-yl]ethanone Formula: C21H21N2OS2+ MolecularWeight: 381.53424

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)C)SC1=CC3=[N+](C4=CC=CC=C4S3)CC

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)C(=O)C)S/C1=C\C3=[N+](C4=CC=CC=C4S3)CC

InChI

InChI=1S/C21H21N2OS2/c1-4-22-16-8-6-7-9-18(16)25-20(22)13-21-23(5-2)17-12-15(14(3)24)10-11-19(17)26-21/h6-13H,4-5H2,1-3H3/q+1