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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCC#CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CN(C(=S)SCC#CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H18ClN3O3S3/c1-24(26)21(29)30-13-3-12-25-14-19(15-4-8-17(22)9-5-15)20(23-25)16-6-10-18(11-7-16)31(2,27)28/h4-11,14,26H,13H2,1-2H3