N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C22H24FN3OS MolecularWeight: 397.508863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)C)C

InChI

InChI=1S/C22H24FN3OS/c1-14-5-10-20(13-15(14)2)28-12-11-24-22(27)21-16(3)25-26(17(21)4)19-8-6-18(23)7-9-19/h5-10,13H,11-12H2,1-4H3,(H,24,27)