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

Systemtic Name: 4-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]but-3-yn-2-yl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [3-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-1-methyl-prop-2-ynyl] N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 4-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]but-3-yn-2-yl ester IUPAC Name: 4-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]but-3-yn-2-yl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid [3-[4-(4-chlorophenyl)-3-(4-mesylphenyl)pyrazol-1-yl]-1-methyl-prop-2-ynyl] ester Formula: C22H20ClN3O3S3 MolecularWeight: 506.0605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)SC(=S)N(C)O

Isomeric SMILES

CC(C#CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)SC(=S)N(C)O

InChI

InChI=1S/C22H20ClN3O3S3/c1-15(31-22(30)25(2)27)12-13-26-14-20(16-4-8-18(23)9-5-16)21(24-26)17-6-10-19(11-7-17)32(3,28)29/h4-11,14-15,27H,1-3H3