sodium 3-chloranyl-1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxidanylidene-2-sulfanyl-azetidine-2-thiolate

Systemtic Name: sodium 3-chloranyl-1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxidanylidene-2-sulfanyl-azetidine-2-thiolate Openeye Name: sodium 3-chloro-1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-2-sulfanyl-azetidine-2-thiolate CAS Name: sodium 3-chloro-1-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-2-mercapto-4-oxo-2-azetidinethiolate IUPAC Name: sodium 3-chloro-1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-2-sulfanylazetidine-2-thiolate Traditional Name: sodium 3-chloro-1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-keto-2-mercapto-azetidine-2-thiolate Formula: C15H14ClN4NaO3S3 MolecularWeight: 452.93443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(C3(S)[S-])Cl)C.[Na+]

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(C3(S)[S-])Cl)C.[Na+]

InChI

InChI=1S/C15H15ClN4O3S3.Na/c1-8-7-9(2)18-14(17-8)19-26(22,23)11-5-3-10(4-6-11)20-13(21)12(16)15(20,24)25;/h3-7,12,24-25H,1-2H3,(H,17,18,19);/q;+1/p-1