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9JK

Summary
Name:~{N}-phenyl-2-sulfanyl-benzamide
Formula:C13 H11 N O S
Formal charge:0
Formula weight:229.298 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-phenyl-2-sulfanyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H11NOS/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h1-9,16H,(H,14,15)
InChIKeyInChI1.03UNNFUOQPVNQPFU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Sc1ccccc1C(=O)Nc2ccccc2
SMILESCACTVS3.385Sc1ccccc1C(=O)Nc2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)NC(=O)c2ccccc2S
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)NC(=O)c2ccccc2S

217705

PDB entries from 2024-03-27

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