[4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methyl N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: [4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)oxazol-2-yl]methyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid [4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-oxazolyl]methyl ester IUPAC Name: [4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid [4-(4-chlorophenyl)-5-(4-mesylphenyl)oxazol-2-yl]methyl ester Formula: C19H17ClN2O4S3 MolecularWeight: 468.99728

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCC1=NC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CN(C(=S)SCC1=NC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C19H17ClN2O4S3/c1-22(23)19(27)28-11-16-21-17(12-3-7-14(20)8-4-12)18(26-16)13-5-9-15(10-6-13)29(2,24)25/h3-10,23H,11H2,1-2H3