5-[(4-tert-butylphenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde

Systemtic Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde Openeye Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde CAS Name: 5-[(4-tert-butylphenyl)methylthio]-1-methyl-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde Traditional Name: 5-[(4-tert-butylbenzyl)thio]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde Formula: C17H19F3N2OS MolecularWeight: 356.40577

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=NN2C)C(F)(F)F)C=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=NN2C)C(F)(F)F)C=O

InChI

InChI=1S/C17H19F3N2OS/c1-16(2,3)12-7-5-11(6-8-12)10-24-15-13(9-23)14(17(18,19)20)21-22(15)4/h5-9H,10H2,1-4H3