2-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-N-(4-bromanyl-1-methyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-N-(4-bromanyl-1-methyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-N-(4-bromo-1-methyl-pyrazol-3-yl)acetamide CAS Name: 2-[[3,5-bis(trifluoromethyl)phenyl]thio]-N-(4-bromo-1-methyl-3-pyrazolyl)acetamide IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-N-(4-bromo-1-methylpyrazol-3-yl)acetamide Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenyl]thio]-N-(4-bromo-1-methyl-pyrazol-3-yl)acetamide Formula: C14H10BrF6N3OS MolecularWeight: 462.208119

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)NC(=O)CSC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Br

Isomeric SMILES

CN1C=C(C(=N1)NC(=O)CSC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Br

InChI

InChI=1S/C14H10BrF6N3OS/c1-24-5-10(15)12(23-24)22-11(25)6-26-9-3-7(13(16,17)18)2-8(4-9)14(19,20)21/h2-5H,6H2,1H3,(H,22,23,25)