N-(3,5-ditert-butyl-4-sulfanyl-phenyl)-1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazole-3-carboxamide

Systemtic Name: N-(3,5-ditert-butyl-4-sulfanyl-phenyl)-1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazole-3-carboxamide Openeye Name: N-(3,5-ditert-butyl-4-sulfanyl-phenyl)-1-(4-fluorophenyl)-5-(p-tolyl)pyrazole-3-carboxamide CAS Name: N-(3,5-ditert-butyl-4-mercaptophenyl)-1-(4-fluorophenyl)-5-(4-methylphenyl)-3-pyrazolecarboxamide IUPAC Name: N-(3,5-ditert-butyl-4-sulfanylphenyl)-1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazole-3-carboxamide Traditional Name: N-(3,5-ditert-butyl-4-mercapto-phenyl)-1-(4-fluorophenyl)-5-(p-tolyl)pyrazole-3-carboxamide Formula: C31H34FN3OS MolecularWeight: 515.684563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)F)C(=O)NC4=CC(=C(C(=C4)C(C)(C)C)S)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)F)C(=O)NC4=CC(=C(C(=C4)C(C)(C)C)S)C(C)(C)C

InChI

InChI=1S/C31H34FN3OS/c1-19-8-10-20(11-9-19)27-18-26(34-35(27)23-14-12-21(32)13-15-23)29(36)33-22-16-24(30(2,3)4)28(37)25(17-22)31(5,6)7/h8-18,37H,1-7H3,(H,33,36)