3-methyl-2-[4-(4-methylphenyl)-2,6-diphenyl-phenyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-[4-(4-methylphenyl)-2,6-diphenyl-phenyl]-1,3-benzothiazol-3-ium Openeye Name: 2-[2,6-diphenyl-4-(p-tolyl)phenyl]-3-methyl-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-[4-(4-methylphenyl)-2,6-diphenylphenyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-[4-(4-methylphenyl)-2,6-diphenylphenyl]-1,3-benzothiazol-3-ium Traditional Name: 2-[2,6-diphenyl-4-(p-tolyl)phenyl]-3-methyl-1,3-benzothiazol-3-ium Formula: C33H26NS+ MolecularWeight: 468.63124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)C4=[N+](C5=CC=CC=C5S4)C)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)C4=[N+](C5=CC=CC=C5S4)C)C6=CC=CC=C6

InChI

InChI=1S/C33H26NS/c1-23-17-19-24(20-18-23)27-21-28(25-11-5-3-6-12-25)32(29(22-27)26-13-7-4-8-14-26)33-34(2)30-15-9-10-16-31(30)35-33/h3-22H,1-2H3/q+1