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

Systemtic Name: 3-prop-2-ynyl-2-[(E)-2-(4-pyrrol-1-ylphenyl)ethenyl]-1,3-benzothiazol-3-ium Openeye Name: 3-prop-2-ynyl-2-[(E)-2-(4-pyrrol-1-ylphenyl)vinyl]-1,3-benzothiazol-3-ium CAS Name: 3-prop-2-ynyl-2-[(E)-2-[4-(1-pyrrolyl)phenyl]ethenyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-prop-2-ynyl-2-[(E)-2-(4-pyrrol-1-ylphenyl)ethenyl]-1,3-benzothiazol-3-ium Traditional Name: 3-propargyl-2-[(E)-2-(4-pyrrol-1-ylphenyl)vinyl]-1,3-benzothiazol-3-ium Formula: C22H17N2S+ MolecularWeight: 341.44878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N2S/c1-2-15-24-20-7-3-4-8-21(20)25-22(24)14-11-18-9-12-19(13-10-18)23-16-5-6-17-23/h1,3-14,16-17H,15H2/q+1