3-(3-bromophenyl)-4-iodanyl-1-methyl-5-phenylsulfanyl-pyridin-1-ium

Systemtic Name: 3-(3-bromophenyl)-4-iodanyl-1-methyl-5-phenylsulfanyl-pyridin-1-ium Openeye Name: 3-(3-bromophenyl)-4-iodo-1-methyl-5-phenylsulfanyl-pyridin-1-ium CAS Name: 3-(3-bromophenyl)-4-iodo-1-methyl-5-(phenylthio)pyridin-1-ium IUPAC Name: 3-(3-bromophenyl)-4-iodo-1-methyl-5-phenylsulfanylpyridin-1-ium Traditional Name: 3-(3-bromophenyl)-4-iodo-1-methyl-5-(phenylthio)pyridin-1-ium Formula: C18H14BrINS+ MolecularWeight: 483.18393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)Br)I)SC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)Br)I)SC3=CC=CC=C3

InChI

InChI=1S/C18H14BrINS/c1-21-11-16(13-6-5-7-14(19)10-13)18(20)17(12-21)22-15-8-3-2-4-9-15/h2-12H,1H3/q+1