3,5-dimethyl-4-phenylsulfanyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-pyrazole

Systemtic Name: 3,5-dimethyl-4-phenylsulfanyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-pyrazole Openeye Name: 3,5-dimethyl-4-phenylsulfanyl-1-(2,4,6-triisopropylphenyl)sulfonyl-pyrazole CAS Name: 3,5-dimethyl-4-(phenylthio)-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrazole IUPAC Name: 3,5-dimethyl-4-phenylsulfanyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrazole Traditional Name: 3,5-dimethyl-4-(phenylthio)-1-(2,4,6-triisopropylphenyl)sulfonyl-pyrazole Formula: C26H34N2O2S2 MolecularWeight: 470.69036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)C)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)C)SC3=CC=CC=C3

InChI

InChI=1S/C26H34N2O2S2/c1-16(2)21-14-23(17(3)4)26(24(15-21)18(5)6)32(29,30)28-20(8)25(19(7)27-28)31-22-12-10-9-11-13-22/h9-18H,1-8H3