3,3,4-trimethyl-5-(phenylsulfonyl)pyrazole

Systemtic Name: 3,3,4-trimethyl-5-(phenylsulfonyl)pyrazole Openeye Name: 5-(benzenesulfonyl)-3,3,4-trimethyl-pyrazole CAS Name: 5-(benzenesulfonyl)-3,3,4-trimethylpyrazole IUPAC Name: 5-(benzenesulfonyl)-3,3,4-trimethylpyrazole Traditional Name: 5-besyl-3,3,4-trimethyl-pyrazole Formula: C12H14N2O2S MolecularWeight: 250.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NC1(C)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(N=NC1(C)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2S/c1-9-11(13-14-12(9,2)3)17(15,16)10-7-5-4-6-8-10/h4-8H,1-3H3