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

Systemtic Name: S-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl] 2-azanylpropanethioate Openeye Name: S-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl) 2-aminopropanethioate CAS Name: 2-aminopropanethioic acid S-[6-(2-phenoxathiinyl)-4-(phenylmethyl)-3-pyridazinyl] ester IUPAC Name: S-(4-benzyl-6-phenoxathiin-2-ylpyridazin-3-yl) 2-aminopropanethioate Traditional Name: 2-aminopropanethioic acid S-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl) ester Formula: C26H21N3O2S2 MolecularWeight: 471.59384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)SC1=NN=C(C=C1CC2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4)N

Isomeric SMILES

CC(C(=O)SC1=NN=C(C=C1CC2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4)N

InChI

InChI=1S/C26H21N3O2S2/c1-16(27)26(30)33-25-19(13-17-7-3-2-4-8-17)14-20(28-29-25)18-11-12-22-24(15-18)32-23-10-6-5-9-21(23)31-22/h2-12,14-16H,13,27H2,1H3