sodium 3-chloranyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-oxidanylidene-2-sulfanyl-azetidine-2-thiolate

Systemtic Name: sodium 3-chloranyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-oxidanylidene-2-sulfanyl-azetidine-2-thiolate Openeye Name: sodium 3-chloro-1-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]-4-oxo-2-sulfanyl-azetidine-2-thiolate CAS Name: sodium 3-chloro-2-mercapto-1-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]-4-oxo-2-azetidinethiolate IUPAC Name: sodium 3-chloro-1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-oxo-2-sulfanylazetidine-2-thiolate Traditional Name: sodium 3-chloro-4-keto-2-mercapto-1-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]azetidine-2-thiolate Formula: C13H11ClN3NaO4S3 MolecularWeight: 427.88191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(C3(S)[S-])Cl.[Na+]

Isomeric SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(C3(S)[S-])Cl.[Na+]

InChI

InChI=1S/C13H12ClN3O4S3.Na/c1-7-6-10(15-21-7)16-24(19,20)9-4-2-8(3-5-9)17-12(18)11(14)13(17,22)23;/h2-6,11,22-23H,1H3,(H,15,16);/q;+1/p-1