1-methyl-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde

Systemtic Name: 1-methyl-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde Openeye Name: 1-methyl-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde CAS Name: 1-methyl-3-(4-methylsulfonylphenyl)-4-pyrazolecarboxaldehyde IUPAC Name: 1-methyl-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde Traditional Name: 3-(4-mesylphenyl)-1-methyl-pyrazole-4-carbaldehyde Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S/c1-14-7-10(8-15)12(13-14)9-3-5-11(6-4-9)18(2,16)17/h3-8H,1-2H3