3-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]prop-2-ynyl N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: 3-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]prop-2-ynyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[5-phenyl-4-(4-sulfamoylphenyl)oxazol-2-yl]prop-2-ynyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[5-phenyl-4-(4-sulfamoylphenyl)-2-oxazolyl]prop-2-ynyl ester IUPAC Name: 3-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]prop-2-ynyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[5-phenyl-4-(4-sulfamoylphenyl)oxazol-2-yl]prop-2-ynyl ester Formula: C20H17N3O4S3 MolecularWeight: 459.56168

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCC#CC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)O

Isomeric SMILES

CN(C(=S)SCC#CC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)O

InChI

InChI=1S/C20H17N3O4S3/c1-23(24)20(28)29-13-5-8-17-22-18(19(27-17)15-6-3-2-4-7-15)14-9-11-16(12-10-14)30(21,25)26/h2-4,6-7,9-12,24H,13H2,1H3,(H2,21,25,26)