6-butyl-2-(4-methylphenyl)-3H-imidazo[2,1-b][1,3]benzothiazol-9-ium

Systemtic Name: 6-butyl-2-(4-methylphenyl)-3H-imidazo[2,1-b][1,3]benzothiazol-9-ium Openeye Name: 6-butyl-2-(p-tolyl)-3H-imidazo[2,1-b][1,3]benzothiazol-9-ium CAS Name: 6-butyl-2-(4-methylphenyl)-3H-imidazo[2,1-b][1,3]benzothiazol-9-ium IUPAC Name: 6-butyl-2-(4-methylphenyl)-3H-imidazo[2,1-b][1,3]benzothiazol-9-ium Traditional Name: 6-butyl-2-(p-tolyl)-3H-imidazo[2,1-b][1,3]benzothiazol-9-ium Formula: C20H21N2S+ MolecularWeight: 321.45914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)[N+]3=C(S2)NC(=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)[N+]3=C(S2)NC(=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C20H20N2S/c1-3-4-5-15-8-11-18-19(12-15)23-20-21-17(13-22(18)20)16-9-6-14(2)7-10-16/h6-13H,3-5H2,1-2H3/p+1