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

Systemtic Name: [4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]methyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [4-(4-methylsulfonylphenyl)-5-phenyl-oxazol-2-yl]methyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid [4-(4-methylsulfonylphenyl)-5-phenyl-2-oxazolyl]methyl ester IUPAC Name: [4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]methyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid [4-(4-mesylphenyl)-5-phenyl-oxazol-2-yl]methyl ester Formula: C19H18N2O4S3 MolecularWeight: 434.55222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S3/c1-21(22)19(26)27-12-16-20-17(18(25-16)14-6-4-3-5-7-14)13-8-10-15(11-9-13)28(2,23)24/h3-11,22H,12H2,1-2H3