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

Systemtic Name: N-[2-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-[2-[3,5-dimethyl-4-(p-tolylsulfanyl)pyrazol-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: N-[2-[3,5-dimethyl-4-[(4-methylphenyl)thio]-1-pyrazolyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: N-[2-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: N-[2-[3,5-dimethyl-4-(p-tolylthio)pyrazol-1-yl]-2-keto-ethyl]benzenesulfonamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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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=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c1-14-9-11-17(12-10-14)27-20-15(2)22-23(16(20)3)19(24)13-21-28(25,26)18-7-5-4-6-8-18/h4-12,21H,13H2,1-3H3