S-[2-oxidanylidene-2-[4-(pyrazolo[1,5-a]pyrimidin-6-ylsulfonylamino)phenyl]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[4-(pyrazolo[1,5-a]pyrimidin-6-ylsulfonylamino)phenyl]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[4-(pyrazolo[1,5-a]pyrimidin-6-ylsulfonylamino)phenyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[4-(6-pyrazolo[1,5-a]pyrimidinylsulfonylamino)phenyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[4-(pyrazolo[1,5-a]pyrimidin-6-ylsulfonylamino)phenyl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-(pyrazolo[1,5-a]pyrimidin-6-ylsulfonylamino)phenyl]ethyl] ester Formula: C16H14N4O4S2 MolecularWeight: 390.43676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN3C(=CC=N3)N=C2

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN3C(=CC=N3)N=C2

InChI

InChI=1S/C16H14N4O4S2/c1-11(21)25-10-15(22)12-2-4-13(5-3-12)19-26(23,24)14-8-17-16-6-7-18-20(16)9-14/h2-9,19H,10H2,1H3