2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-methyl-1,3-thiazol-3-yl]ethanethiol bromide

Systemtic Name: 2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-methyl-1,3-thiazol-3-yl]ethanethiol bromide Openeye Name: 2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-4-methyl-thiazol-3-yl]ethanethiol bromide CAS Name: 2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-methyl-3-thiazolyl]ethanethiol bromide IUPAC Name: 2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-methyl-1,3-thiazol-3-yl]ethanethiol bromide Traditional Name: 2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-4-methyl-4-thiazolin-3-yl]ethanethiol bromide Formula: C16H19BrN2S3 MolecularWeight: 415.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3N(C(=CS3)C)CCS.[Br-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/3\N(C(=CS3)C)CCS.[Br-]

InChI

InChI=1S/C16H18N2S3.BrH/c1-3-17-13-6-4-5-7-14(13)21-16(17)10-15-18(8-9-19)12(2)11-20-15;/h4-7,10-11H,3,8-9H2,1-2H3;1H