4-bromanyl-1-methyl-N-(2-phenylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-methyl-N-(2-phenylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-1-methyl-N-(2-phenylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-1-methyl-N-[2-(phenylthio)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-methyl-N-(2-phenylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-1-methyl-N-[2-(phenylthio)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C18H13BrF3N3OS MolecularWeight: 456.27953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)Br)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)Br)C(F)(F)F

InChI

InChI=1S/C18H13BrF3N3OS/c1-25-16(18(20,21)22)14(19)15(24-25)17(26)23-12-9-5-6-10-13(12)27-11-7-3-2-4-8-11/h2-10H,1H3,(H,23,26)