4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine CAS Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylthio]pyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[[4-(trifluoromethyl)benzyl]thio]pyrimidine Formula: C21H17F3N2O3S MolecularWeight: 434.43149

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(F)(F)F)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(F)(F)F)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17F3N2O3S/c1-2-15-9-19(29-16-7-8-17-18(10-16)28-12-27-17)26-20(25-15)30-11-13-3-5-14(6-4-13)21(22,23)24/h3-10H,2,11-12H2,1H3