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

Systemtic Name: [3-[4-(4-methylsulfonylphenyl)-3-phenyl-pyrazol-1-yl]phenyl] N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [3-[4-(4-methylsulfonylphenyl)-3-phenyl-pyrazol-1-yl]phenyl] N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid [3-[4-(4-methylsulfonylphenyl)-3-phenyl-1-pyrazolyl]phenyl] ester IUPAC Name: [3-[4-(4-methylsulfonylphenyl)-3-phenylpyrazol-1-yl]phenyl] N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid [3-[4-(4-mesylphenyl)-3-phenyl-pyrazol-1-yl]phenyl] ester Formula: C24H21N3O3S3 MolecularWeight: 495.63684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O3S3/c1-26(28)24(31)32-20-10-6-9-19(15-20)27-16-22(23(25-27)18-7-4-3-5-8-18)17-11-13-21(14-12-17)33(2,29)30/h3-16,28H,1-2H3