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2B2

Summary
Name:4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
Formula:C14 H13 F3 N2 O S
Formal charge:0
Formula weight:314.326 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
OpenEye OEToolkits1.7.64-(2-methyl-1,3-thiazol-4-yl)-N-[3,3,3-tris(fluoranyl)propyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)CCNC(=O)c2ccc(c1nc(sc1)C)cc2
InChIInChI1.03InChI=1S/C14H13F3N2OS/c1-9-19-12(8-21-9)10-2-4-11(5-3-10)13(20)18-7-6-14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,20)
InChIKeyInChI1.03SVHPYKNJXNVSQN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
SMILESCACTVS3.385Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F
SMILESOpenEye OEToolkits1.7.6Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F

223532

數據於2024-08-07公開中

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