3-chloranyl-2-fluoranyl-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-6-(trifluoromethyl)benzamide

Systemtic Name: 3-chloranyl-2-fluoranyl-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-6-(trifluoromethyl)benzamide Openeye Name: 3-chloro-2-fluoro-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-6-(trifluoromethyl)benzamide CAS Name: 3-chloro-2-fluoro-N-[1-[(phenylthio)methyl]-4-pyrazolyl]-6-(trifluoromethyl)benzamide IUPAC Name: 3-chloro-2-fluoro-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-6-(trifluoromethyl)benzamide Traditional Name: 3-chloro-2-fluoro-N-[1-[(phenylthio)methyl]pyrazol-4-yl]-6-(trifluoromethyl)benzamide Formula: C18H12ClF4N3OS MolecularWeight: 429.818993

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCN2C=C(C=N2)NC(=O)C3=C(C=CC(=C3F)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SCN2C=C(C=N2)NC(=O)C3=C(C=CC(=C3F)Cl)C(F)(F)F

InChI

InChI=1S/C18H12ClF4N3OS/c19-14-7-6-13(18(21,22)23)15(16(14)20)17(27)25-11-8-24-26(9-11)10-28-12-4-2-1-3-5-12/h1-9H,10H2,(H,25,27)