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

Systemtic Name: 2-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium Openeye Name: 3-allyl-2-[(E)-2-(4-imidazol-1-ylphenyl)vinyl]-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-[4-(1-imidazolyl)phenyl]ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium Traditional Name: 3-allyl-2-[(E)-2-(4-imidazol-1-ylphenyl)vinyl]-1,3-benzothiazol-3-ium Formula: C21H18N3S+ MolecularWeight: 344.45272

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/C21H18N3S/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/h2-13,15-16H,1,14H2/q+1