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

Systemtic Name: 3-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]prop-2-ynyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[4-(4-methylsulfonylphenyl)-5-phenyl-oxazol-2-yl]prop-2-ynyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[4-(4-methylsulfonylphenyl)-5-phenyl-2-oxazolyl]prop-2-ynyl ester IUPAC Name: 3-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]prop-2-ynyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[4-(4-mesylphenyl)-5-phenyl-oxazol-2-yl]prop-2-ynyl ester Formula: C21H18N2O4S3 MolecularWeight: 458.57362

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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)C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S3/c1-23(24)21(28)29-14-6-9-18-22-19(20(27-18)16-7-4-3-5-8-16)15-10-12-17(13-11-15)30(2,25)26/h3-5,7-8,10-13,24H,14H2,1-2H3