2-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-2-(4-imidazol-1-ylphenyl)vinyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-[4-(1-imidazolyl)phenyl]ethenyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-2-(4-imidazol-1-ylphenyl)vinyl]-3-propargyl-1,3-benzothiazol-3-ium Formula: C21H16N3S+ MolecularWeight: 342.43684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C#CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C21H16N3S/c1-2-14-24-19-5-3-4-6-20(19)25-21(24)12-9-17-7-10-18(11-8-17)23-15-13-22-16-23/h1,3-13,15-16H,14H2/q+1