S-[2-oxidanylidene-2-[4-(quinoxalin-6-ylsulfonylamino)phenyl]ethyl] pyridine-3-carbothioate

Systemtic Name: S-[2-oxidanylidene-2-[4-(quinoxalin-6-ylsulfonylamino)phenyl]ethyl] pyridine-3-carbothioate Openeye Name: S-[2-oxo-2-[4-(quinoxalin-6-ylsulfonylamino)phenyl]ethyl] pyridine-3-carbothioate CAS Name: 3-pyridinecarbothioic acid S-[2-oxo-2-[4-(6-quinoxalinylsulfonylamino)phenyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[4-(quinoxalin-6-ylsulfonylamino)phenyl]ethyl] pyridine-3-carbothioate Traditional Name: pyridine-3-carbothioic acid S-[2-keto-2-[4-(quinoxalin-6-ylsulfonylamino)phenyl]ethyl] ester Formula: C22H16N4O4S2 MolecularWeight: 464.51684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)SCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C1=CC(=CN=C1)C(=O)SCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C22H16N4O4S2/c27-21(14-31-22(28)16-2-1-9-23-13-16)15-3-5-17(6-4-15)26-32(29,30)18-7-8-19-20(12-18)25-11-10-24-19/h1-13,26H,14H2