3-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]prop-2-ynyl N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: 3-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]prop-2-ynyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]prop-2-ynyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-3-pyrazolyl]prop-2-ynyl ester IUPAC Name: 3-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]prop-2-ynyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[5-(4-chlorophenyl)-1-(4-mesylphenyl)pyrazol-3-yl]prop-2-ynyl ester Formula: C21H18ClN3O3S3 MolecularWeight: 492.03392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S3/c1-24(26)21(29)30-13-3-4-17-14-20(15-5-7-16(22)8-6-15)25(23-17)18-9-11-19(12-10-18)31(2,27)28/h5-12,14,26H,13H2,1-2H3