3-methyl-2-(2,4,6-triphenylphenyl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-(2,4,6-triphenylphenyl)-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-(2,4,6-triphenylphenyl)-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-(2,4,6-triphenylphenyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-(2,4,6-triphenylphenyl)-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-(2,4,6-triphenylphenyl)-1,3-benzothiazol-3-ium Formula: C32H24NS+ MolecularWeight: 454.60466

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H24NS/c1-33-29-19-11-12-20-30(29)34-32(33)31-27(24-15-7-3-8-16-24)21-26(23-13-5-2-6-14-23)22-28(31)25-17-9-4-10-18-25/h2-22H,1H3/q+1