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

Systemtic Name: [3-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]phenyl] N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [3-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]phenyl] N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid [3-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]phenyl] ester IUPAC Name: [3-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]phenyl] N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid [3-[4-(4-chlorophenyl)-3-(4-mesylphenyl)pyrazol-1-yl]phenyl] ester Formula: C24H20ClN3O3S3 MolecularWeight: 530.0819

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SC1=CC=CC(=C1)N2C=C(C(=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CN(C(=S)SC1=CC=CC(=C1)N2C=C(C(=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C24H20ClN3O3S3/c1-27(29)24(32)33-20-5-3-4-19(14-20)28-15-22(16-6-10-18(25)11-7-16)23(26-28)17-8-12-21(13-9-17)34(2,30)31/h3-15,29H,1-2H3