4-bromanyl-N-[2-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[2-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: 4-bromo-N-[2-[3,5-dimethyl-4-(p-tolylsulfanyl)pyrazol-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: 4-bromo-N-[2-[3,5-dimethyl-4-[(4-methylphenyl)thio]-1-pyrazolyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[2-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: 4-bromo-N-[2-[3,5-dimethyl-4-(p-tolylthio)pyrazol-1-yl]-2-keto-ethyl]benzenesulfonamide Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C20H20BrN3O3S2/c1-13-4-8-17(9-5-13)28-20-14(2)23-24(15(20)3)19(25)12-22-29(26,27)18-10-6-16(21)7-11-18/h4-11,22H,12H2,1-3H3