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Details

Stereochemistry RACEMIC
Molecular Formula C14H14ClN3OS
Molecular Weight 307.798
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(P-CHLOROPHENYL)-7,8-DIHYDRO-1,3-DIMETHYL-1H-PYRAZOLO(3,4-D)(1,3)THIAZEPIN-4(5H)ONE

SMILES

CN1N=C(C)C2=C1NC(SCC2=O)C3=CC=C(Cl)C=C3

InChI

InChIKey=ADLHXSBDUCTGJQ-UHFFFAOYSA-N
InChI=1S/C14H14ClN3OS/c1-8-12-11(19)7-20-14(16-13(12)18(2)17-8)9-3-5-10(15)6-4-9/h3-6,14,16H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H14ClN3OS
Molecular Weight 307.798
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:27:28 GMT 2025
Edited
by admin
on Mon Mar 31 21:27:28 GMT 2025
Record UNII
CNO5MF0856
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-PYRAZOLO(3,4-D)(1,3)THIAZEPIN-4(5H)-ONE, 7-(4-CHLOROPHENYL)-7,8-DIHYDRO-1,3-DIMETHYL-
Preferred Name English
7-(P-CHLOROPHENYL)-7,8-DIHYDRO-1,3-DIMETHYL-1H-PYRAZOLO(3,4-D)(1,3)THIAZEPIN-4(5H)ONE
Common Name English
1H-PYRAZOLO(3,4-D)(1,3)THIAZEPIN-4(5H)-ONE, 7-(P-CHLOROPHENYL)-7,8-DIHYDRO-1,3-DIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
CNO5MF0856
Created by admin on Mon Mar 31 21:27:28 GMT 2025 , Edited by admin on Mon Mar 31 21:27:28 GMT 2025
PRIMARY
CAS
27311-43-9
Created by admin on Mon Mar 31 21:27:28 GMT 2025 , Edited by admin on Mon Mar 31 21:27:28 GMT 2025
PRIMARY
PUBCHEM
136654695
Created by admin on Mon Mar 31 21:27:28 GMT 2025 , Edited by admin on Mon Mar 31 21:27:28 GMT 2025
PRIMARY