3-bromanyl-2-(4-methylphenyl)-1-phenyl-1-benzothiophen-1-ium

Systemtic Name: 3-bromanyl-2-(4-methylphenyl)-1-phenyl-1-benzothiophen-1-ium Openeye Name: 3-bromo-1-phenyl-2-(p-tolyl)benzothiophen-1-ium CAS Name: 3-bromo-2-(4-methylphenyl)-1-phenyl-1-benzothiophen-1-ium IUPAC Name: 3-bromo-2-(4-methylphenyl)-1-phenyl-1-benzothiophen-1-ium Traditional Name: 3-bromo-1-phenyl-2-(p-tolyl)benzothiophen-1-ium Formula: C21H16BrS+ MolecularWeight: 380.32074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3[S+]2C4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3[S+]2C4=CC=CC=C4)Br

InChI

InChI=1S/C21H16BrS/c1-15-11-13-16(14-12-15)21-20(22)18-9-5-6-10-19(18)23(21)17-7-3-2-4-8-17/h2-14H,1H3/q+1