[4-(3-chloranyl-4-fluoranyl-phenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl] N-butyl-N-oxidanyl-carbamodithioate

Systemtic Name: [4-(3-chloranyl-4-fluoranyl-phenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl] N-butyl-N-oxidanyl-carbamodithioate Openeye Name: [4-(3-chloro-4-fluoro-phenyl)-5-(4-sulfamoylphenyl)oxazol-2-yl] N-butyl-N-hydroxy-carbamodithioate CAS Name: N-butyl-N-hydroxycarbamodithioic acid [4-(3-chloro-4-fluorophenyl)-5-(4-sulfamoylphenyl)-2-oxazolyl] ester IUPAC Name: [4-(3-chloro-4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl] N-butyl-N-hydroxycarbamodithioate Traditional Name: N-butyl-N-hydroxy-carbamodithioic acid [4-(3-chloro-4-fluoro-phenyl)-5-(4-sulfamoylphenyl)oxazol-2-yl] ester Formula: C20H19ClFN3O4S3 MolecularWeight: 516.028963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=S)SC1=NC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)F)Cl)O

Isomeric SMILES

CCCCN(C(=S)SC1=NC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)F)Cl)O

InChI

InChI=1S/C20H19ClFN3O4S3/c1-2-3-10-25(26)20(30)31-19-24-17(13-6-9-16(22)15(21)11-13)18(29-19)12-4-7-14(8-5-12)32(23,27)28/h4-9,11,26H,2-3,10H2,1H3,(H2,23,27,28)