S-[2-oxidanylidene-2-[4-(pyrazolo[1,5-a]pyrimidin-3-ylsulfonylamino)phenyl]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[4-(pyrazolo[1,5-a]pyrimidin-3-ylsulfonylamino)phenyl]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[4-(pyrazolo[1,5-a]pyrimidin-3-ylsulfonylamino)phenyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[4-(3-pyrazolo[1,5-a]pyrimidinylsulfonylamino)phenyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[4-(pyrazolo[1,5-a]pyrimidin-3-ylsulfonylamino)phenyl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-(pyrazolo[1,5-a]pyrimidin-3-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=C3N=CC=CN3N=C2

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C3N=CC=CN3N=C2

InChI

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