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34O

Summary
Name:2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole
Formula:C17 H13 F N2 O4 S
Formal charge:0
Formula weight:360.36 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole
OpenEye OEToolkits1.5.02-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1,3,4-oxadiazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1c(OC)ccc(c1)CSc2nnc(o2)c3ccc4OCOc4c3
SMILES_CANONICALCACTVS3.341COc1ccc(CSc2oc(nn2)c3ccc4OCOc4c3)cc1F
SMILESCACTVS3.341COc1ccc(CSc2oc(nn2)c3ccc4OCOc4c3)cc1F
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(cc1F)CSc2nnc(o2)c3ccc4c(c3)OCO4
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1F)CSc2nnc(o2)c3ccc4c(c3)OCO4
InChIInChI1.03InChI=1S/C17H13FN2O4S/c1-21-13-4-2-10(6-12(13)18)8-25-17-20-19-16(24-17)11-3-5-14-15(7-11)23-9-22-14/h2-7H,8-9H2,1H3
InChIKeyInChI1.03TUTZKAQTSPMEBI-UHFFFAOYSA-N

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PDB entries from 2024-07-24

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