5-chloranyl-7-methylsulfanyl-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 5-chloranyl-7-methylsulfanyl-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 5-chloro-7-methylsulfanyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 5-chloro-7-(methylthio)-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 5-chloro-7-methylsulfanyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 5-chloro-7-(methylthio)-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C12H6ClF3N4S MolecularWeight: 330.71605

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=C(C=C3F)F)F

Isomeric SMILES

CSC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=C(C=C3F)F)F

InChI

InChI=1S/C12H6ClF3N4S/c1-21-11-9(8-6(15)2-5(14)3-7(8)16)10(13)19-12-17-4-18-20(11)12/h2-4H,1H3