N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-pyrazole-1-carbothioamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-pyrazole-1-carbothioamide Openeye Name: 4-(5-bromo-2-hydroxy-benzoyl)-N-[4-(difluoromethylsulfanyl)phenyl]pyrazole-1-carbothioamide CAS Name: 4-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-N-[4-(difluoromethylthio)phenyl]-1-pyrazolecarbothioamide IUPAC Name: 4-(5-bromo-2-hydroxybenzoyl)-N-[4-(difluoromethylsulfanyl)phenyl]pyrazole-1-carbothioamide Traditional Name: 4-(5-bromo-2-hydroxy-benzoyl)-N-[4-(difluoromethylthio)phenyl]pyrazole-1-carbothioamide Formula: C18H12BrF2N3O2S2 MolecularWeight: 484.337586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)O)SC(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=S)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)O)SC(F)F

InChI

InChI=1S/C18H12BrF2N3O2S2/c19-11-1-6-15(25)14(7-11)16(26)10-8-22-24(9-10)18(27)23-12-2-4-13(5-3-12)28-17(20)21/h1-9,17,25H,(H,23,27)