1-(2-phenyl-1H-indol-3-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(2-phenyl-1H-indol-3-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(2-phenyl-1H-indol-3-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(2-phenyl-1H-indol-3-yl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(2-phenyl-1H-indol-3-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(2-phenyl-1H-indol-3-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C21H14F3N3OS MolecularWeight: 413.41557

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)CSC4=NC=CC(=N4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)CSC4=NC=CC(=N4)C(F)(F)F

InChI

InChI=1S/C21H14F3N3OS/c22-21(23,24)17-10-11-25-20(27-17)29-12-16(28)18-14-8-4-5-9-15(14)26-19(18)13-6-2-1-3-7-13/h1-11,26H,12H2