S-(3-pyridin-4-ylcarbonylsulfanylquinoxalin-2-yl) pyridine-4-carbothioate

Systemtic Name: S-(3-pyridin-4-ylcarbonylsulfanylquinoxalin-2-yl) pyridine-4-carbothioate Openeye Name: S-[3-(pyridine-4-carbonylsulfanyl)quinoxalin-2-yl] pyridine-4-carbothioate CAS Name: 4-pyridinecarbothioic acid S-[3-[[oxo(pyridin-4-yl)methyl]thio]-2-quinoxalinyl] ester IUPAC Name: S-[3-(pyridine-4-carbonylsulfanyl)quinoxalin-2-yl] pyridine-4-carbothioate Traditional Name: pyridine-4-carbothioic acid S-[3-(isonicotinoylthio)quinoxalin-2-yl] ester Formula: C20H12N4O2S2 MolecularWeight: 404.46488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)SC(=O)C3=CC=NC=C3)SC(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)SC(=O)C3=CC=NC=C3)SC(=O)C4=CC=NC=C4

InChI

InChI=1S/C20H12N4O2S2/c25-19(13-5-9-21-10-6-13)27-17-18(24-16-4-2-1-3-15(16)23-17)28-20(26)14-7-11-22-12-8-14/h1-12H