G5E

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Summary

Name:3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{H}-1,2,4-triazole-5-thione
Formula:C14 H10 F N3 O2 S
Formal charge:0
Molecular weight:303.312 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{H}-1,2,4-triazole-5-thione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H10FN3O2S/c15-10-3-1-2-4-11(10)18-13(16-17-14(18)21)9-6-5-8(19)7-12(9)20/h1-7,19-20H,(H,17,21)
InChIKeyInChI1.03UAZGBVUYMVWWQS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(c(O)c1)C2=NNC(=S)N2c3ccccc3F
SMILESCACTVS3.385Oc1ccc(c(O)c1)C2=NNC(=S)N2c3ccccc3F
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(c(c1)N2C(=NNC2=S)c3ccc(cc3O)O)F
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)N2C(=NNC2=S)c3ccc(cc3O)O)F