N-(1-phenylethyl)-4-[6-phenylsulfanyl-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrimidin-2-amine

Systemtic Name: N-(1-phenylethyl)-4-[6-phenylsulfanyl-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrimidin-2-amine Openeye Name: N-(1-phenylethyl)-4-[6-phenylsulfanyl-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrimidin-2-amine CAS Name: N-(1-phenylethyl)-4-[6-(phenylthio)-3-[3-(trifluoromethyl)phenyl]-4-pyridazinyl]-2-pyrimidinamine IUPAC Name: N-(1-phenylethyl)-4-[6-phenylsulfanyl-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrimidin-2-amine Traditional Name: 1-phenylethyl-[4-[6-(phenylthio)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrimidin-2-yl]amine Formula: C29H22F3N5S MolecularWeight: 529.57869

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)C3=CC(=NN=C3C4=CC(=CC=C4)C(F)(F)F)SC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)C3=CC(=NN=C3C4=CC(=CC=C4)C(F)(F)F)SC5=CC=CC=C5

InChI

InChI=1S/C29H22F3N5S/c1-19(20-9-4-2-5-10-20)34-28-33-16-15-25(35-28)24-18-26(38-23-13-6-3-7-14-23)36-37-27(24)21-11-8-12-22(17-21)29(30,31)32/h2-19H,1H3,(H,33,34,35)