3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)sulfonyl-pyrazole

Systemtic Name: 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)sulfonyl-pyrazole Openeye Name: 3,5-dimethyl-4-(p-tolylsulfanyl)-1-(2,4,6-trimethylphenyl)sulfonyl-pyrazole CAS Name: 3,5-dimethyl-4-[(4-methylphenyl)thio]-1-(2,4,6-trimethylphenyl)sulfonylpyrazole IUPAC Name: 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole Traditional Name: 1-mesitylsulfonyl-3,5-dimethyl-4-(p-tolylthio)pyrazole Formula: C21H24N2O2S2 MolecularWeight: 400.55746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C

InChI

InChI=1S/C21H24N2O2S2/c1-13-7-9-19(10-8-13)26-20-17(5)22-23(18(20)6)27(24,25)21-15(3)11-14(2)12-16(21)4/h7-12H,1-6H3