S-[2-oxidanylidene-2-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]ethyl] ester Formula: C13H13N3O4S2 MolecularWeight: 339.39002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CNN=C2

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CNN=C2

InChI

InChI=1S/C13H13N3O4S2/c1-9(17)21-8-13(18)10-2-4-11(5-3-10)16-22(19,20)12-6-14-15-7-12/h2-7,16H,8H2,1H3,(H,14,15)