1-tert-butyl-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde

Systemtic Name: 1-tert-butyl-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde Openeye Name: 1-tert-butyl-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde CAS Name: 1-tert-butyl-3-(4-methylsulfonylphenyl)-4-pyrazolecarboxaldehyde IUPAC Name: 1-tert-butyl-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde Traditional Name: 1-tert-butyl-3-(4-mesylphenyl)pyrazole-4-carbaldehyde Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C=O

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C=O

InChI

InChI=1S/C15H18N2O3S/c1-15(2,3)17-9-12(10-18)14(16-17)11-5-7-13(8-6-11)21(4,19)20/h5-10H,1-4H3