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

Systemtic Name: 2-[2,6-bis(4-methylphenyl)-4-phenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-[4-phenyl-2,6-bis(p-tolyl)phenyl]-1,3-benzothiazol-3-ium CAS Name: 2-[2,6-bis(4-methylphenyl)-4-phenylphenyl]-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[2,6-bis(4-methylphenyl)-4-phenylphenyl]-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-[4-phenyl-2,6-bis(p-tolyl)phenyl]-1,3-benzothiazol-3-ium Formula: C34H28NS+ MolecularWeight: 482.65782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CC(=C2C3=[N+](C4=CC=CC=C4S3)C)C5=CC=C(C=C5)C)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=CC(=C2C3=[N+](C4=CC=CC=C4S3)C)C5=CC=C(C=C5)C)C6=CC=CC=C6

InChI

InChI=1S/C34H28NS/c1-23-13-17-26(18-14-23)29-21-28(25-9-5-4-6-10-25)22-30(27-19-15-24(2)16-20-27)33(29)34-35(3)31-11-7-8-12-32(31)36-34/h4-22H,1-3H3/q+1