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

Systemtic Name: [(E)-3-[1-(4-methylsulfonylphenyl)-5-phenyl-pyrazol-3-yl]prop-2-enyl] N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [(E)-3-[1-(4-methylsulfonylphenyl)-5-phenyl-pyrazol-3-yl]allyl] N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid [(E)-3-[1-(4-methylsulfonylphenyl)-5-phenyl-3-pyrazolyl]prop-2-enyl] ester IUPAC Name: [(E)-3-[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]prop-2-enyl] N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid [(E)-3-[1-(4-mesylphenyl)-5-phenyl-pyrazol-3-yl]allyl] ester Formula: C21H21N3O3S3 MolecularWeight: 459.60474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCC=CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S3/c1-23(25)21(28)29-14-6-9-17-15-20(16-7-4-3-5-8-16)24(22-17)18-10-12-19(13-11-18)30(2,26)27/h3-13,15,25H,14H2,1-2H3/b9-6+