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

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyrimidine Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyrimidine CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-phenyl-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyrimidine Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-phenyl-6-(trifluoromethyl)pyrimidine Formula: C19H12ClF3N2O2S MolecularWeight: 424.82399

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4)Cl

InChI

InChI=1S/C19H12ClF3N2O2S/c20-13-7-16-15(26-10-27-16)6-12(13)9-28-18-24-14(11-4-2-1-3-5-11)8-17(25-18)19(21,22)23/h1-8H,9-10H2