3-[3,5-bis(fluoranyl)phenyl]sulfanyl-4-bromanyl-N,N-diethyl-pyrazole-1-carboxamide

Systemtic Name: 3-[3,5-bis(fluoranyl)phenyl]sulfanyl-4-bromanyl-N,N-diethyl-pyrazole-1-carboxamide Openeye Name: 4-bromo-3-(3,5-difluorophenyl)sulfanyl-N,N-diethyl-pyrazole-1-carboxamide CAS Name: 4-bromo-3-[(3,5-difluorophenyl)thio]-N,N-diethyl-1-pyrazolecarboxamide IUPAC Name: 4-bromo-3-(3,5-difluorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide Traditional Name: 4-bromo-3-[(3,5-difluorophenyl)thio]-N,N-diethyl-pyrazole-1-carboxamide Formula: C14H14BrF2N3OS MolecularWeight: 390.246266

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=C(C(=N1)SC2=CC(=CC(=C2)F)F)Br

Isomeric SMILES

CCN(CC)C(=O)N1C=C(C(=N1)SC2=CC(=CC(=C2)F)F)Br

InChI

InChI=1S/C14H14BrF2N3OS/c1-3-19(4-2)14(21)20-8-12(15)13(18-20)22-11-6-9(16)5-10(17)7-11/h5-8H,3-4H2,1-2H3