5-[(4-tert-butylphenyl)methylsulfonyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-[(4-tert-butylphenyl)methylsulfonyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-[(4-tert-butylphenyl)methylsulfonyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-[(4-tert-butylphenyl)methylsulfonyl]-1-methyl-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-[(4-tert-butylphenyl)methylsulfonyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(4-tert-butylbenzyl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C17H18F3N3O2S MolecularWeight: 385.40393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)C2=C(C(=NN2C)C(F)(F)F)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)C2=C(C(=NN2C)C(F)(F)F)C#N

InChI

InChI=1S/C17H18F3N3O2S/c1-16(2,3)12-7-5-11(6-8-12)10-26(24,25)15-13(9-21)14(17(18,19)20)22-23(15)4/h5-8H,10H2,1-4H3