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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)sulfonyl-pyrazole Openeye Name: 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)sulfonyl-pyrazole CAS Name: 4-[(4-chlorophenyl)thio]-3,5-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole IUPAC Name: 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole Traditional Name: 4-[(4-chlorophenyl)thio]-1-mesitylsulfonyl-3,5-dimethyl-pyrazole Formula: C20H21ClN2O2S2 MolecularWeight: 420.97594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(=C(C(=N2)C)SC3=CC=C(C=C3)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(=C(C(=N2)C)SC3=CC=C(C=C3)Cl)C)C

InChI

InChI=1S/C20H21ClN2O2S2/c1-12-10-13(2)20(14(3)11-12)27(24,25)23-16(5)19(15(4)22-23)26-18-8-6-17(21)7-9-18/h6-11H,1-5H3