1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde

Systemtic Name: 1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde Openeye Name: 1-isobutyl-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde CAS Name: 1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)-4-pyrazolecarboxaldehyde IUPAC Name: 1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde Traditional Name: 1-isobutyl-3-(4-mesylphenyl)pyrazole-4-carbaldehyde Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C=O

Isomeric SMILES

CC(C)CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C=O

InChI

InChI=1S/C15H18N2O3S/c1-11(2)8-17-9-13(10-18)15(16-17)12-4-6-14(7-5-12)21(3,19)20/h4-7,9-11H,8H2,1-3H3