1-[2,5-dimethyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrrol-3-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrrol-3-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-3-pyrrolyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H16F3N5OS MolecularWeight: 395.40205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(F)(F)F)C)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(N1CC(F)(F)F)C)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C17H16F3N5OS/c1-10-7-13(11(2)25(10)9-17(18,19)20)14(26)8-27-16-22-15(23-24-16)12-3-5-21-6-4-12/h3-7H,8-9H2,1-2H3,(H,22,23,24)