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

Systemtic Name: 2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-methyl-1,3-thiazol-3-yl]ethanethiol Openeye Name: 2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-4-methyl-thiazol-3-yl]ethanethiol CAS Name: 2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-methyl-3-thiazolyl]ethanethiol IUPAC Name: 2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4-methyl-1,3-thiazol-3-yl]ethanethiol Traditional Name: 2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-4-methyl-4-thiazolin-3-yl]ethanethiol Formula: C16H19N2S3+ MolecularWeight: 335.53046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2S3/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/p+1