2-(2-phenylethynyl)-3-prop-2-ynyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-(2-phenylethynyl)-3-prop-2-ynyl-1,3-benzothiazol-3-ium Openeye Name: 2-(2-phenylethynyl)-3-prop-2-ynyl-1,3-benzothiazol-3-ium CAS Name: 2-(2-phenylethynyl)-3-prop-2-ynyl-1,3-benzothiazol-3-ium IUPAC Name: 2-(2-phenylethynyl)-3-prop-2-ynyl-1,3-benzothiazol-3-ium Traditional Name: 2-(2-phenylethynyl)-3-propargyl-1,3-benzothiazol-3-ium Formula: C18H12NS+ MolecularWeight: 274.35958

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=C(SC2=CC=CC=C21)C#CC3=CC=CC=C3

Isomeric SMILES

C#CC[N+]1=C(SC2=CC=CC=C21)C#CC3=CC=CC=C3

InChI

InChI=1S/C18H12NS/c1-2-14-19-16-10-6-7-11-17(16)20-18(19)13-12-15-8-4-3-5-9-15/h1,3-11H,14H2/q+1