S-[2-oxidanylidene-2-[3-(1,3,5-triazin-2-ylsulfonylamino)phenyl]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[3-(1,3,5-triazin-2-ylsulfonylamino)phenyl]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[3-(1,3,5-triazin-2-ylsulfonylamino)phenyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[3-(1,3,5-triazin-2-ylsulfonylamino)phenyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[3-(1,3,5-triazin-2-ylsulfonylamino)phenyl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[3-(s-triazin-2-ylsulfonylamino)phenyl]ethyl] ester Formula: C13H12N4O4S2 MolecularWeight: 352.38878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=NC=NC=N2

Isomeric SMILES

CC(=O)SCC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=NC=NC=N2

InChI

InChI=1S/C13H12N4O4S2/c1-9(18)22-6-12(19)10-3-2-4-11(5-10)17-23(20,21)13-15-7-14-8-16-13/h2-5,7-8,17H,6H2,1H3