RA9

2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide

Created:	2017-05-11
Last modified:	2018-01-17

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1 entries where RA9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	11

2D diagram of RA9

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Chemical Component Summary
Name	2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide
Systematic Name (OpenEye OEToolkits)	2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide
Formula	C₁₀ H₁₁ N₅ O₃ S₃
Molecular Weight	345.421
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1sc(SCC(=O)Nc2ccc(cc2)[S](N)(=O)=O)nn1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1NC(=O)CSc2nnc(s2)N)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	Nc1sc(SCC(=O)Nc2ccc(cc2)[S](N)(=O)=O)nn1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1NC(=O)CSc2nnc(s2)N)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C10H11N5O3S3/c11-9-14-15-10(20-9)19-5-8(16)13-6-1-3-7(4-2-6)21(12,17)18/h1-4H,5H2,(H2,11,14)(H,13,16)(H2,12,17,18)
InChIKey	InChI	1.03	XOOCPGSAGIALAP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1888035

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