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

Systemtic Name: 5-chloranyl-7-(phenylmethylsulfanyl)-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 7-benzylsulfanyl-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 5-chloro-7-(phenylmethylthio)-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 7-benzylsulfanyl-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 7-(benzylthio)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C18H10ClF3N4S MolecularWeight: 406.81201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=NC3=NC=NN23)Cl)C4=C(C=C(C=C4F)F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=NC3=NC=NN23)Cl)C4=C(C=C(C=C4F)F)F

InChI

InChI=1S/C18H10ClF3N4S/c19-16-15(14-12(21)6-11(20)7-13(14)22)17(26-18(25-16)23-9-24-26)27-8-10-4-2-1-3-5-10/h1-7,9H,8H2