9JK

~{N}-phenyl-2-sulfanyl-benzamide

Created:	2017-05-25
Last modified:	2024-09-27

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1 entries where 9JK is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	12

2D diagram of 9JK

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Chemical Component Summary
Name	~{N}-phenyl-2-sulfanyl-benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-phenyl-2-sulfanyl-benzamide
Formula	C₁₃ H₁₁ N O S
Molecular Weight	229.298
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Sc1ccccc1C(=O)Nc2ccccc2
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)NC(=O)c2ccccc2S
Canonical SMILES	CACTVS	3.385	Sc1ccccc1C(=O)Nc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)NC(=O)c2ccccc2S
InChI	InChI	1.03	InChI=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)
InChIKey	InChI	1.03	UNNFUOQPVNQPFU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12683432
ChEMBL	CHEMBL317000
CCDC/CSD	ICOPUN
COD	7017080

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.