S-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl] 2-[(4-methylphenyl)sulfonylamino]ethanethioate

Systemtic Name: S-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl] 2-[(4-methylphenyl)sulfonylamino]ethanethioate Openeye Name: S-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl) 2-(p-tolylsulfonylamino)ethanethioate CAS Name: 2-[(4-methylphenyl)sulfonylamino]ethanethioic acid S-[6-(2-phenoxathiinyl)-4-(phenylmethyl)-3-pyridazinyl] ester IUPAC Name: S-(4-benzyl-6-phenoxathiin-2-ylpyridazin-3-yl) 2-[(4-methylphenyl)sulfonylamino]ethanethioate Traditional Name: 2-(tosylamino)ethanethioic acid S-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl) ester Formula: C32H25N3O4S3 MolecularWeight: 611.7536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)SC2=NN=C(C=C2CC3=CC=CC=C3)C4=CC5=C(C=C4)OC6=CC=CC=C6S5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)SC2=NN=C(C=C2CC3=CC=CC=C3)C4=CC5=C(C=C4)OC6=CC=CC=C6S5

InChI

InChI=1S/C32H25N3O4S3/c1-21-11-14-25(15-12-21)42(37,38)33-20-31(36)41-32-24(17-22-7-3-2-4-8-22)18-26(34-35-32)23-13-16-28-30(19-23)40-29-10-6-5-9-27(29)39-28/h2-16,18-19,33H,17,20H2,1H3