N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C22H21FN4OS MolecularWeight: 408.491743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H21FN4OS/c1-15-21(16(2)27(26-15)20-9-7-19(23)8-10-20)22(28)25-11-12-29-14-18-6-4-3-5-17(18)13-24/h3-10H,11-12,14H2,1-2H3,(H,25,28)