2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-(trifluoromethyl)pyrimidine IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-(trifluoromethyl)pyrimidine Formula: C14H10BrF3N2O2S MolecularWeight: 407.20561

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C14H10BrF3N2O2S/c15-9-6-11-10(21-3-4-22-11)5-8(9)7-23-13-19-2-1-12(20-13)14(16,17)18/h1-2,5-6H,3-4,7H2