sodium 3-chloranyl-4-oxidanylidene-1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-sulfanyl-azetidine-2-thiolate

Systemtic Name: sodium 3-chloranyl-4-oxidanylidene-1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-sulfanyl-azetidine-2-thiolate Openeye Name: sodium 3-chloro-4-oxo-1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-sulfanyl-azetidine-2-thiolate CAS Name: sodium 3-chloro-2-mercapto-4-oxo-1-[4-(2-pyrimidinylsulfamoyl)phenyl]-2-azetidinethiolate IUPAC Name: sodium 3-chloro-4-oxo-1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-sulfanylazetidine-2-thiolate Traditional Name: sodium 3-chloro-4-keto-2-mercapto-1-[4-(2-pyrimidylsulfamoyl)phenyl]azetidine-2-thiolate Formula: C13H10ClN4NaO3S3 MolecularWeight: 424.88127

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(C3(S)[S-])Cl.[Na+]

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(C3(S)[S-])Cl.[Na+]

InChI

InChI=1S/C13H11ClN4O3S3.Na/c14-10-11(19)18(13(10,22)23)8-2-4-9(5-3-8)24(20,21)17-12-15-6-1-7-16-12;/h1-7,10,22-23H,(H,15,16,17);/q;+1/p-1