S-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl] 2-azanylethanethioate

Systemtic Name: S-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl] 2-azanylethanethioate Openeye Name: S-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl) 2-aminoethanethioate CAS Name: 2-aminoethanethioic acid S-[6-(2-phenoxathiinyl)-4-(phenylmethyl)-3-pyridazinyl] ester IUPAC Name: S-(4-benzyl-6-phenoxathiin-2-ylpyridazin-3-yl) 2-aminoethanethioate Traditional Name: 2-aminoethanethioic acid S-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl) ester Formula: C25H19N3O2S2 MolecularWeight: 457.56726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=NN=C2SC(=O)CN)C3=CC4=C(C=C3)OC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=NN=C2SC(=O)CN)C3=CC4=C(C=C3)OC5=CC=CC=C5S4

InChI

InChI=1S/C25H19N3O2S2/c26-15-24(29)32-25-18(12-16-6-2-1-3-7-16)13-19(27-28-25)17-10-11-21-23(14-17)31-22-9-5-4-8-20(22)30-21/h1-11,13-14H,12,15,26H2