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Details

Stereochemistry ACHIRAL
Molecular Formula C22H10Cl2N8O2S2
Molecular Weight 553.403
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NSC-320254

SMILES

OC1=C(C=CC=C1)C2=NN=C3SC4=C(Cl)C5=NN6C(SC5=C(Cl)C4=NN23)=NN=C6C7=C(O)C=CC=C7

InChI

InChIKey=NWIVVXCOKNYZAB-UHFFFAOYSA-N
InChI=1S/C22H10Cl2N8O2S2/c23-13-15-17(35-21-27-25-19(31(21)29-15)9-5-1-3-7-11(9)33)14(24)16-18(13)36-22-28-26-20(32(22)30-16)10-6-2-4-8-12(10)34/h1-8,33-34H

HIDE SMILES / InChI

Molecular Formula C22H10Cl2N8O2S2
Molecular Weight 553.403
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:57:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:47 GMT 2023
Record UNII
3G4GZW7DHZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-320254
Common Name English
Phenol, 2,2′-(6,13-dichloro-1,2,4-triazolo[3,4-b][1,2,4]triazolo[3′,4′:2,3][1,3,4]thiadiazino[6,5-g][1,3,4]benzothiadiazine-3,10-diyl)bis-
Systematic Name English
2-[2,12-dichloro-16-(2-hydroxyphenyl)-10,20-dithia-4,5,7,8,14,15,17,18-octaazapentacyclo[11.7.0.0{3,11}.0{5,9}.0{15,19}]icosa-1,3,6,8,11,13,16,18-octaen-6-yl]phenol
Systematic Name English
Code System Code Type Description
CAS
77712-45-9
Created by admin on Sat Dec 16 12:57:47 GMT 2023 , Edited by admin on Sat Dec 16 12:57:47 GMT 2023
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EPA CompTox
DTXSID10998929
Created by admin on Sat Dec 16 12:57:47 GMT 2023 , Edited by admin on Sat Dec 16 12:57:47 GMT 2023
PRIMARY
FDA UNII
3G4GZW7DHZ
Created by admin on Sat Dec 16 12:57:47 GMT 2023 , Edited by admin on Sat Dec 16 12:57:47 GMT 2023
PRIMARY
NSC
320254
Created by admin on Sat Dec 16 12:57:47 GMT 2023 , Edited by admin on Sat Dec 16 12:57:47 GMT 2023
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PUBCHEM
330848
Created by admin on Sat Dec 16 12:57:47 GMT 2023 , Edited by admin on Sat Dec 16 12:57:47 GMT 2023
PRIMARY