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

Systemtic Name: 3-[4-(4-methylsulfonylphenyl)-3-phenyl-pyrazol-1-yl]prop-2-ynyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[4-(4-methylsulfonylphenyl)-3-phenyl-pyrazol-1-yl]prop-2-ynyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[4-(4-methylsulfonylphenyl)-3-phenyl-1-pyrazolyl]prop-2-ynyl ester IUPAC Name: 3-[4-(4-methylsulfonylphenyl)-3-phenylpyrazol-1-yl]prop-2-ynyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[4-(4-mesylphenyl)-3-phenyl-pyrazol-1-yl]prop-2-ynyl ester Formula: C21H19N3O3S3 MolecularWeight: 457.58886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S3/c1-23(25)21(28)29-14-6-13-24-15-19(20(22-24)17-7-4-3-5-8-17)16-9-11-18(12-10-16)30(2,26)27/h3-5,7-12,15,25H,14H2,1-2H3