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Summary Geometry Related PDB entries

M3Y

Summary

Name:	5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide
Formula:	C15 H15 N7 O3 S
Formal charge:	0
Formula weight:	373.39 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide
OpenEye OEToolkits	2.0.7	5-azanyl-~{N}-phenyl-3-[(4-sulfamoylphenyl)amino]-1,2,4-triazole-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3c(ccc(Nc2nc(N)n(C(Nc1ccccc1)=O)n2)c3)S(N)(=O)=O
InChI	InChI	1.03	InChI=1S/C15H15N7O3S/c16-13-20-14(18-11-6-8-12(9-7-11)26(17,24)25)21-22(13)15(23)19-10-4-2-1-3-5-10/h1-9H,(H,19,23)(H2,17,24,25)(H3,16,18,20,21)
InChIKey	InChI	1.03	ZQFUBCAVNORBSG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=O)Nc3ccccc3
SMILES	CACTVS	3.385	Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=O)Nc3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N

218500

數據於2024-04-17公開中

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