N-[2-(4-bromophenyl)sulfanylethyl]-1-(2-fluorophenyl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-1-(2-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-1-(2-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-1-(2-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-1-(2-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C19H17BrFN3OS MolecularWeight: 434.325183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2F)C(=O)NCCSC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2F)C(=O)NCCSC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrFN3OS/c1-13-16(12-23-24(13)18-5-3-2-4-17(18)21)19(25)22-10-11-26-15-8-6-14(20)7-9-15/h2-9,12H,10-11H2,1H3,(H,22,25)