2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyrimidine Openeye Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyrimidine CAS Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-4-phenyl-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyrimidine Traditional Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-4-phenyl-6-(trifluoromethyl)pyrimidine Formula: C20H15F3N2O2S MolecularWeight: 404.40551

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C20H15F3N2O2S/c21-20(22,23)18-10-15(13-6-2-1-3-7-13)24-19(25-18)28-12-14-11-26-16-8-4-5-9-17(16)27-14/h1-10,14H,11-12H2/t14-/m0/s1