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Details

Stereochemistry ACHIRAL
Molecular Formula C17H22N4OS
Molecular Weight 330.448
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Cyclohexyl-4-(1-phenyl-5-tetrazolyl)thio-1-butanone

SMILES

O=C(CCCSC1=NN=NN1C2=CC=CC=C2)C3CCCCC3

InChI

InChIKey=HNNQYYDGTCRRIK-UHFFFAOYSA-N
InChI=1S/C17H22N4OS/c22-16(14-8-3-1-4-9-14)12-7-13-23-17-18-19-20-21(17)15-10-5-2-6-11-15/h2,5-6,10-11,14H,1,3-4,7-9,12-13H2

HIDE SMILES / InChI

Molecular Formula C17H22N4OS
Molecular Weight 330.448
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 16:18:13 GMT 2023
Edited
by admin
on Sat Dec 16 16:18:13 GMT 2023
Record UNII
3KLH9AB24P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Cyclohexyl-4-(1-phenyl-5-tetrazolyl)thio-1-butanone
Systematic Name English
1-Cyclohexyl-4-((1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl)butan-1-one
Systematic Name English
1-Butanone, 1-cyclohexyl-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-
Systematic Name English
1-Cyclohexyl-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-1-butanone
Systematic Name English
Code System Code Type Description
FDA UNII
3KLH9AB24P
Created by admin on Sat Dec 16 16:18:13 GMT 2023 , Edited by admin on Sat Dec 16 16:18:13 GMT 2023
PRIMARY
CAS
80087-23-6
Created by admin on Sat Dec 16 16:18:13 GMT 2023 , Edited by admin on Sat Dec 16 16:18:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID50230072
Created by admin on Sat Dec 16 16:18:13 GMT 2023 , Edited by admin on Sat Dec 16 16:18:13 GMT 2023
PRIMARY
PUBCHEM
133363
Created by admin on Sat Dec 16 16:18:13 GMT 2023 , Edited by admin on Sat Dec 16 16:18:13 GMT 2023
PRIMARY