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NZA

Summary
Name:5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
Synonyms:NTZDPA
Formula:C22 H15 Cl2 N O2 S
Formal charge:0
Formula weight:428.331 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-chloro-1-(4-chlorobenzyl)-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid
OpenEye OEToolkits1.5.05-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(cc1)Cn4c2ccc(Cl)cc2c(Sc3ccccc3)c4C(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)c1n(Cc2ccc(Cl)cc2)c3ccc(Cl)cc3c1Sc4ccccc4
SMILESCACTVS3.341OC(=O)c1n(Cc2ccc(Cl)cc2)c3ccc(Cl)cc3c1Sc4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)Sc2c3cc(ccc3n(c2C(=O)O)Cc4ccc(cc4)Cl)Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)Sc2c3cc(ccc3n(c2C(=O)O)Cc4ccc(cc4)Cl)Cl
InChIInChI1.03InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27)
InChIKeyInChI1.03VUPOTURDKDMIGQ-UHFFFAOYSA-N

222624

数据于2024-07-17公开中

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