O9Y

2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide

Created:	2019-06-19
Last modified:	2020-04-01

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1 entries where O9Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	17

2D diagram of O9Y

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Chemical Component Summary
Name	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide
Systematic Name (OpenEye OEToolkits)	2-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)-5-(1,2,3-triazol-2-yl)benzohydrazide
Formula	C₁₆ H₁₄ F N₅ O₃ S
Molecular Weight	375.377
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3(S(NNC(c1c(c(C)cc(c1)n2nccn2)F)=O)(=O)=O)ccccc3
SMILES	CACTVS	3.385	Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)n3nccn3
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3nccn3
Canonical SMILES	CACTVS	3.385	Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)n3nccn3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3nccn3
InChI	InChI	1.03	InChI=1S/C16H14FN5O3S/c1-11-9-12(22-18-7-8-19-22)10-14(15(11)17)16(23)20-21-26(24,25)13-5-3-2-4-6-13/h2-10,21H,1H3,(H,20,23)
InChIKey	InChI	1.03	VOTAKFAKQLJZRE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135298649

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.