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

Systemtic Name: 2-[4-(4-chlorophenyl)-2,6-diphenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-[4-(4-chlorophenyl)-2,6-diphenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-[4-(4-chlorophenyl)-2,6-diphenylphenyl]-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[4-(4-chlorophenyl)-2,6-diphenylphenyl]-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-[4-(4-chlorophenyl)-2,6-diphenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium Formula: C32H23ClNS+ MolecularWeight: 489.04972

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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=C(C=C5)Cl)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=C(C=C5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C32H23ClNS/c1-34-29-14-8-9-15-30(29)35-32(34)31-27(23-10-4-2-5-11-23)20-25(22-16-18-26(33)19-17-22)21-28(31)24-12-6-3-7-13-24/h2-21H,1H3/q+1