English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

CID

Summary

Name:	6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME
Formula:	C19 H12 Cl3 N3 O S
Formal charge:	0
Formula weight:	436.742 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime
OpenEye OEToolkits	1.5.0	1-[6-(4-chlorophenyl)imidazo[2,3-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(cc1Cl)CO\N=C\c3n4ccsc4nc3c2ccc(Cl)cc2
SMILES_CANONICAL	CACTVS	3.341	Clc1ccc(cc1)c2nc3sccn3c2/C=N/OCc4ccc(Cl)c(Cl)c4
SMILES	CACTVS	3.341	Clc1ccc(cc1)c2nc3sccn3c2C=NOCc4ccc(Cl)c(Cl)c4
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2c(n3ccsc3n2)\C=N\OCc4ccc(c(c4)Cl)Cl)Cl
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2c(n3ccsc3n2)C=NOCc4ccc(c(c4)Cl)Cl)Cl
InChI	InChI	1.03	InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+
InChIKey	InChI	1.03	ZQWBOKJVVYNKTL-AUEPDCJTSA-N

219140

PDB entries from 2024-05-01

PDB statistics

PDBj update info

Contact PDBj

numon