2,6-ditert-butyl-3-(pyrazol-1-ylmethyl)-4-sulfanylcarbonyl-phenolate

Systemtic Name: 2,6-ditert-butyl-3-(pyrazol-1-ylmethyl)-4-sulfanylcarbonyl-phenolate Openeye Name: 2,6-ditert-butyl-3-(pyrazol-1-ylmethyl)-4-sulfanylcarbonyl-phenolate CAS Name: 2,6-ditert-butyl-4-[mercapto(oxo)methyl]-3-(1-pyrazolylmethyl)phenolate IUPAC Name: 2,6-ditert-butyl-3-(pyrazol-1-ylmethyl)-4-sulfanylcarbonylphenolate Traditional Name: 2,6-ditert-butyl-3-(pyrazol-1-ylmethyl)-4-thiocarboxy-phenolate Formula: C19H25N2O2S- MolecularWeight: 345.479

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C(=C1)C(=O)S)CN2C=CC=N2)C(C)(C)C)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C(=C1)C(=O)S)CN2C=CC=N2)C(C)(C)C)[O-]

InChI

InChI=1S/C19H26N2O2S/c1-18(2,3)14-10-12(17(23)24)13(11-21-9-7-8-20-21)15(16(14)22)19(4,5)6/h7-10,22H,11H2,1-6H3,(H,23,24)/p-1