methyl 1-(benzenecarbonothioyl)-5-tert-butyl-5-oxidanyl-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 1-(benzenecarbonothioyl)-5-tert-butyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: methyl 1-(benzenecarbonothioyl)-5-tert-butyl-5-hydroxy-4H-pyrazole-3-carboxylate CAS Name: 1-(benzenecarbonothioyl)-5-tert-butyl-5-hydroxy-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(benzenecarbonothioyl)-5-tert-butyl-5-hydroxy-4H-pyrazole-3-carboxylate Traditional Name: 1-(benzenecarbonothioyl)-5-tert-butyl-5-hydroxy-2-pyrazoline-3-carboxylic acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CC(=NN1C(=S)C2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

CC(C)(C)C1(CC(=NN1C(=S)C2=CC=CC=C2)C(=O)OC)O

InChI

InChI=1S/C16H20N2O3S/c1-15(2,3)16(20)10-12(14(19)21-4)17-18(16)13(22)11-8-6-5-7-9-11/h5-9,20H,10H2,1-4H3