5L9

(2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

Created:	2015-10-19
Last modified:	2021-03-01

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1 entries where 5L9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	11

2D diagram of 5L9

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Chemical Component Summary
Name	(2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Synonyms	S-desthio-prothioconazole
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Formula	C₁₄ H₁₅ Cl₂ N₃ O
Molecular Weight	312.194
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[C](Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(c(c1)CC(Cn2cncn2)(C3(CC3)Cl)O)Cl
Canonical SMILES	CACTVS	3.385	O[C@](Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1ccc(c(c1)C[C@](Cn2cncn2)(C3(CC3)Cl)O)Cl
InChI	InChI	1.03	InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2/t14-/m0/s1
InChIKey	InChI	1.03	HHUQPWODPBDTLI-AWEZNQCLSA-N

Related Resource References

Resource Name	Reference
PubChem	92289822

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