S-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanethioate

Systemtic Name: S-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanethioate Openeye Name: S-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl) 2-(1,3-dioxoisoindolin-2-yl)ethanethioate CAS Name: 2-(1,3-dioxo-2-isoindolyl)ethanethioic acid S-[6-(2-phenoxathiinyl)-4-(phenylmethyl)-3-pyridazinyl] ester IUPAC Name: S-(4-benzyl-6-phenoxathiin-2-ylpyridazin-3-yl) 2-(1,3-dioxoisoindol-2-yl)ethanethioate Traditional Name: 2-phthalimidoethanethioic acid S-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl) ester Formula: C33H21N3O4S2 MolecularWeight: 587.66754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=NN=C2SC(=O)CN3C(=O)C4=CC=CC=C4C3=O)C5=CC6=C(C=C5)OC7=CC=CC=C7S6

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=NN=C2SC(=O)CN3C(=O)C4=CC=CC=C4C3=O)C5=CC6=C(C=C5)OC7=CC=CC=C7S6

InChI

InChI=1S/C33H21N3O4S2/c37-30(19-36-32(38)23-10-4-5-11-24(23)33(36)39)42-31-22(16-20-8-2-1-3-9-20)17-25(34-35-31)21-14-15-27-29(18-21)41-28-13-7-6-12-26(28)40-27/h1-15,17-18H,16,19H2