1EK

{[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid


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Chemical Component Summary

Name{[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Identifiers2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid
FormulaC18 H12 Cl N3 O2 S2
Molecular Weight401.89
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)n2c(nnc2SCC(=O)O)c3c(c4ccccc4s3)Cl
InChIInChI=1S/C18H12ClN3O2S2/c19-15-12-8-4-5-9-13(12)26-16(15)17-20-21-18(25-10-14(23)24)22(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,23,24)
InChIKeyGNEUDTMFXMASKC-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count41
Aromatic Bond Count21

Related Resource References

Resource NameReference
PubChem 3977202, 1539855
ChEMBL CHEMBL2407474