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738

Summary
Name:N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
Formula:C16 H13 F N2 O S
Formal charge:0
Formula weight:300.351 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide
OpenEye OEToolkits1.5.0N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluoro-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1ccccc1C(=O)Nc2sc3c(c2C#N)CCCC3
SMILES_CANONICALCACTVS3.341Fc1ccccc1C(=O)Nc2sc3CCCCc3c2C#N
SMILESCACTVS3.341Fc1ccccc1C(=O)Nc2sc3CCCCc3c2C#N
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C#N)F
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C#N)F
InChIInChI1.03InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)
InChIKeyInChI1.03YVYPYORTKAIUGJ-UHFFFAOYSA-N

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PDB entries from 2024-07-10

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