1,3-dimethyl-5-(4-methylsulfonylphenoxy)pyrazole-4-carbaldehyde

Systemtic Name: 1,3-dimethyl-5-(4-methylsulfonylphenoxy)pyrazole-4-carbaldehyde Openeye Name: 1,3-dimethyl-5-(4-methylsulfonylphenoxy)pyrazole-4-carbaldehyde CAS Name: 1,3-dimethyl-5-(4-methylsulfonylphenoxy)-4-pyrazolecarboxaldehyde IUPAC Name: 1,3-dimethyl-5-(4-methylsulfonylphenoxy)pyrazole-4-carbaldehyde Traditional Name: 5-(4-mesylphenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)OC2=CC=C(C=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1=NN(C(=C1C=O)OC2=CC=C(C=C2)S(=O)(=O)C)C

InChI

InChI=1S/C13H14N2O4S/c1-9-12(8-16)13(15(2)14-9)19-10-4-6-11(7-5-10)20(3,17)18/h4-8H,1-3H3