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

Systemtic Name: 4-[4-(4-methylsulfonylphenyl)-3-phenyl-pyrazol-1-yl]but-3-yn-2-yl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: [1-methyl-3-[4-(4-methylsulfonylphenyl)-3-phenyl-pyrazol-1-yl]prop-2-ynyl] N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 4-[4-(4-methylsulfonylphenyl)-3-phenyl-1-pyrazolyl]but-3-yn-2-yl ester IUPAC Name: 4-[4-(4-methylsulfonylphenyl)-3-phenylpyrazol-1-yl]but-3-yn-2-yl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid [3-[4-(4-mesylphenyl)-3-phenyl-pyrazol-1-yl]-1-methyl-prop-2-ynyl] ester Formula: C22H21N3O3S3 MolecularWeight: 471.61544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S3/c1-16(30-22(29)24(2)26)13-14-25-15-20(21(23-25)18-7-5-4-6-8-18)17-9-11-19(12-10-17)31(3,27)28/h4-12,15-16,26H,1-3H3