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Details

Stereochemistry ACHIRAL
Molecular Formula C17H16N6O4S
Molecular Weight 400.412
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-Methyl-4-[2-[4-(methylsulfonyl)-2-nitrophenyl]diazenyl]-1-phenyl-1H-pyrazol-5-amine

SMILES

CC1=NN(C(N)=C1\N=N\C2=C(C=C(C=C2)S(C)(=O)=O)[N+]([O-])=O)C3=CC=CC=C3

InChI

InChIKey=BBCXHOYGGYKBRN-FMQUCBEESA-N
InChI=1S/C17H16N6O4S/c1-11-16(17(18)22(21-11)12-6-4-3-5-7-12)20-19-14-9-8-13(28(2,26)27)10-15(14)23(24)25/h3-10H,18H2,1-2H3/b20-19+

HIDE SMILES / InChI

Molecular Formula C17H16N6O4S
Molecular Weight 400.412
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:01:18 GMT 2023
Edited
by admin
on Sat Dec 16 12:01:18 GMT 2023
Record UNII
FA3DT29VPT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Methyl-4-[2-[4-(methylsulfonyl)-2-nitrophenyl]diazenyl]-1-phenyl-1H-pyrazol-5-amine
Systematic Name English
1H-Pyrazol-5-amine, 3-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-1-phenyl-
Systematic Name English
1H-Pyrazol-5-amine, 3-methyl-4-[2-[4-(methylsulfonyl)-2-nitrophenyl]diazenyl]-1-phenyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
112388
Created by admin on Sat Dec 16 12:01:18 GMT 2023 , Edited by admin on Sat Dec 16 12:01:18 GMT 2023
PRIMARY
CAS
70210-09-2
Created by admin on Sat Dec 16 12:01:18 GMT 2023 , Edited by admin on Sat Dec 16 12:01:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
274-406-3
Created by admin on Sat Dec 16 12:01:18 GMT 2023 , Edited by admin on Sat Dec 16 12:01:18 GMT 2023
PRIMARY
FDA UNII
FA3DT29VPT
Created by admin on Sat Dec 16 12:01:18 GMT 2023 , Edited by admin on Sat Dec 16 12:01:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID7072044
Created by admin on Sat Dec 16 12:01:18 GMT 2023 , Edited by admin on Sat Dec 16 12:01:18 GMT 2023
PRIMARY