2-phenylsulfanyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 2-phenylsulfanyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide Openeye Name: 2-phenylsulfanyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide CAS Name: 2-(phenylthio)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide IUPAC Name: 2-phenylsulfanyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide Traditional Name: 2-(phenylthio)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propionamide Formula: C12H11F3N4OS MolecularWeight: 316.30215

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NNC(=N1)C(F)(F)F)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=NNC(=N1)C(F)(F)F)SC2=CC=CC=C2

InChI

InChI=1S/C12H11F3N4OS/c1-7(21-8-5-3-2-4-6-8)9(20)16-11-17-10(18-19-11)12(13,14)15/h2-7H,1H3,(H2,16,17,18,19,20)