DLR

(2R)-3-benzyl-2-(1H-indazol-5-yl)-1,3-thiazolidin-4-one

Created:	2015-01-29
Last modified:	2015-10-07

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1 entries where DLR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	16

2D diagram of DLR

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Chemical Component Summary
Name	(2R)-3-benzyl-2-(1H-indazol-5-yl)-1,3-thiazolidin-4-one
Systematic Name (OpenEye OEToolkits)	(2R)-2-(1H-indazol-5-yl)-3-(phenylmethyl)-1,3-thiazolidin-4-one
Formula	C₁₇ H₁₅ N₃ O S
Molecular Weight	309.386
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2N(Cc1ccccc1)C(SC2)c4ccc3nncc3c4
SMILES	CACTVS	3.385	O=C1CS[CH](N1Cc2ccccc2)c3ccc4[nH]ncc4c3
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CN2C(SCC2=O)c3ccc4c(c3)cn[nH]4
Canonical SMILES	CACTVS	3.385	O=C1CS[C@@H](N1Cc2ccccc2)c3ccc4[nH]ncc4c3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CN2[C@H](SCC2=O)c3ccc4c(c3)cn[nH]4
InChI	InChI	1.03	InChI=1S/C17H15N3OS/c21-16-11-22-17(20(16)10-12-4-2-1-3-5-12)13-6-7-15-14(8-13)9-18-19-15/h1-9,17H,10-11H2,(H,18,19)/t17-/m1/s1
InChIKey	InChI	1.03	UIFSOMZAJQOGHJ-QGZVFWFLSA-N

Related Resource References

Resource Name	Reference
PubChem	119057266

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