6-(4-bromophenyl)-3-cyano-4-[2-[(2-methylphenyl)methoxy]phenyl]pyridine-2-thiolate

Systemtic Name: 6-(4-bromophenyl)-3-cyano-4-[2-[(2-methylphenyl)methoxy]phenyl]pyridine-2-thiolate Openeye Name: 6-(4-bromophenyl)-3-cyano-4-[2-(o-tolylmethoxy)phenyl]pyridine-2-thiolate CAS Name: 6-(4-bromophenyl)-3-cyano-4-[2-[(2-methylphenyl)methoxy]phenyl]-2-pyridinethiolate IUPAC Name: 6-(4-bromophenyl)-3-cyano-4-[2-[(2-methylphenyl)methoxy]phenyl]pyridine-2-thiolate Traditional Name: 6-(4-bromophenyl)-3-cyano-4-[2-(2-methylbenzyl)oxyphenyl]pyridine-2-thiolate Formula: C26H18BrN2OS- MolecularWeight: 486.40292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=CC=CC=C2C3=CC(=NC(=C3C#N)[S-])C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1COC2=CC=CC=C2C3=CC(=NC(=C3C#N)[S-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H19BrN2OS/c1-17-6-2-3-7-19(17)16-30-25-9-5-4-8-21(25)22-14-24(29-26(31)23(22)15-28)18-10-12-20(27)13-11-18/h2-14H,16H2,1H3,(H,29,31)/p-1