2-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]isoindole-1,3-dione Openeye Name: 2-[2-[[1-(2-pyridyl)imidazol-2-yl]sulfanylmethyl]phenyl]isoindoline-1,3-dione CAS Name: 2-[2-[[[1-(2-pyridinyl)-2-imidazolyl]thio]methyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]isoindole-1,3-dione Traditional Name: 2-[2-[[[1-(2-pyridyl)imidazol-2-yl]thio]methyl]phenyl]isoindoline-1,3-quinone Formula: C23H16N4O2S MolecularWeight: 412.46374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC=CN2C3=CC=CC=N3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC=CN2C3=CC=CC=N3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H16N4O2S/c28-21-17-8-2-3-9-18(17)22(29)27(21)19-10-4-1-7-16(19)15-30-23-25-13-14-26(23)20-11-5-6-12-24-20/h1-14H,15H2