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Summary Geometry Related PDB entries

A1LV1

Summary

Name:	tetraniliprole
Synonyms:	2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
Formula:	C22 H16 Cl F3 N10 O2
Formal charge:	0
Formula weight:	544.876 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-(3-chloranylpyridin-2-yl)-~{N}-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)-1,2,3,4-tetrazol-2-yl]methyl]pyrazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H16ClF3N10O2/c1-11-6-12(9-27)7-14(19(37)28-2)17(11)30-20(38)16-8-13(10-35-33-21(31-34-35)22(24,25)26)32-36(16)18-15(23)4-3-5-29-18/h3-8H,10H2,1-2H3,(H,28,37)(H,30,38)
InChIKey	InChI	1.06	KNDVJPKNBVIKML-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)c1cc(cc(C)c1NC(=O)c2cc(Cn3nnc(n3)C(F)(F)F)nn2c4ncccc4Cl)C#N
SMILES	CACTVS	3.385	CNC(=O)c1cc(cc(C)c1NC(=O)c2cc(Cn3nnc(n3)C(F)(F)F)nn2c4ncccc4Cl)C#N
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1NC(=O)c2cc(nn2c3c(cccn3)Cl)Cn4nc(nn4)C(F)(F)F)C(=O)NC)C#N
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1NC(=O)c2cc(nn2c3c(cccn3)Cl)Cn4nc(nn4)C(F)(F)F)C(=O)NC)C#N

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PDB entries from 2026-01-28

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