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

Systemtic Name: [(E)-3-[5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazol-2-yl]prop-2-enyl] N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [(E)-3-[5-(4-methylsulfonylphenyl)-4-phenyl-oxazol-2-yl]allyl] N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid [(E)-3-[5-(4-methylsulfonylphenyl)-4-phenyl-2-oxazolyl]prop-2-enyl] ester IUPAC Name: [(E)-3-[5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazol-2-yl]prop-2-enyl] N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid [(E)-3-[5-(4-mesylphenyl)-4-phenyl-oxazol-2-yl]allyl] ester Formula: C21H20N2O4S3 MolecularWeight: 460.5895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C(=S)SC/C=C/C1=NC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3)O

InChI

InChI=1S/C21H20N2O4S3/c1-23(24)21(28)29-14-6-9-18-22-19(15-7-4-3-5-8-15)20(27-18)16-10-12-17(13-11-16)30(2,25)26/h3-13,24H,14H2,1-2H3/b9-6+