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Summary Geometry Related PDB entries

9MZ

Summary

Name:	2-{(5S)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Formula:	C19 H15 F3 N4 O3 S
Formal charge:	0
Formula weight:	436.408 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-{(5S)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
OpenEye OEToolkits	1.7.6	2-[(5S)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-oxidanylidene-1,3-thiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N=C(SC1CC(=O)Nc2cc(ccc2)C(F)(F)F)N/N=C/c3ccccc3O
InChI	InChI	1.03	InChI=1S/C19H15F3N4O3S/c20-19(21,22)12-5-3-6-13(8-12)24-16(28)9-15-17(29)25-18(30-15)26-23-10-11-4-1-2-7-14(11)27/h1-8,10,15,27H,9H2,(H,24,28)(H,25,26,29)/b23-10+/t15-/m0/s1
InChIKey	InChI	1.03	OBVIGUGYWMTZGZ-MQEPLNOPSA-N
SMILES_CANONICAL	CACTVS	3.370	Oc1ccccc1/C=N/NC2=NC(=O)[C@H](CC(=O)Nc3cccc(c3)C(F)(F)F)S2
SMILES	CACTVS	3.370	Oc1ccccc1C=NNC2=NC(=O)[CH](CC(=O)Nc3cccc(c3)C(F)(F)F)S2
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)/C=N/NC2=NC(=O)[C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(c(c1)C=NNC2=NC(=O)C(S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O

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