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

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine Formula: C17H10ClF3N2O2S2 MolecularWeight: 430.85171

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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=CS4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4)Cl

InChI

InChI=1S/C17H10ClF3N2O2S2/c18-10-5-13-12(24-8-25-13)4-9(10)7-27-16-22-11(14-2-1-3-26-14)6-15(23-16)17(19,20)21/h1-6H,7-8H2