2-cyano-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide

Systemtic Name: 2-cyano-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide Openeye Name: 2-cyano-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide CAS Name: 2-cyano-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methylbenzenesulfonamide IUPAC Name: 2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide Traditional Name: 2-cyano-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H20N4O2S/c1-15-19(16(2)24(22-15)18-10-5-4-6-11-18)14-23(3)27(25,26)20-12-8-7-9-17(20)13-21/h4-12H,14H2,1-3H3