NZA

5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID

Created:	2007-06-25
Last modified:	2020-06-05

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5 entries where NZA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	22

2D diagram of NZA

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Chemical Component Summary
Name	5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
Synonyms	NTZDPA
Systematic Name (OpenEye OEToolkits)	5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-indole-2-carboxylic acid
Formula	C₂₂ H₁₅ Cl₂ N O₂ S
Molecular Weight	428.331
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(cc1)Cn4c2ccc(Cl)cc2c(Sc3ccccc3)c4C(=O)O
SMILES	CACTVS	3.341	OC(=O)c1n(Cc2ccc(Cl)cc2)c3ccc(Cl)cc3c1Sc4ccccc4
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Sc2c3cc(ccc3n(c2C(=O)O)Cc4ccc(cc4)Cl)Cl
Canonical SMILES	CACTVS	3.341	OC(=O)c1n(Cc2ccc(Cl)cc2)c3ccc(Cl)cc3c1Sc4ccccc4
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Sc2c3cc(ccc3n(c2C(=O)O)Cc4ccc(cc4)Cl)Cl
InChI	InChI	1.03	InChI=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)
InChIKey	InChI	1.03	VUPOTURDKDMIGQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL370152
PubChem	9954280
ChEMBL	CHEMBL370152

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