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Details

Stereochemistry ACHIRAL
Molecular Formula C15H13F2N3O3S
Molecular Weight 353.344
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2-CYANOETHYL)-2,2-BIS(FLUORANYLMETHYL)-6-NITRO-CHROMENE-4-CARBOTHIOAMIDE

SMILES

[O-][N+](=O)C1=CC=C2OC(CF)(CF)C=C(C(=S)NCCC#N)C2=C1

InChI

InChIKey=LKUDLWNQCZSCQW-UHFFFAOYSA-N
InChI=1S/C15H13F2N3O3S/c16-8-15(9-17)7-12(14(24)19-5-1-4-18)11-6-10(20(21)22)2-3-13(11)23-15/h2-3,6-7H,1,5,8-9H2,(H,19,24)

HIDE SMILES / InChI

Molecular Formula C15H13F2N3O3S
Molecular Weight 353.344
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 16:25:40 GMT 2023
Edited
by admin
on Sat Dec 16 16:25:40 GMT 2023
Record UNII
M5SKN5Z5BA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2-CYANOETHYL)-2,2-BIS(FLUORANYLMETHYL)-6-NITRO-CHROMENE-4-CARBOTHIOAMIDE
Systematic Name English
KC-399
Code English
2H-1-Benzopyran-4-carbothioamide, N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-nitro-
Systematic Name English
Code System Code Type Description
PUBCHEM
9863361
Created by admin on Sat Dec 16 16:25:40 GMT 2023 , Edited by admin on Sat Dec 16 16:25:40 GMT 2023
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FDA UNII
M5SKN5Z5BA
Created by admin on Sat Dec 16 16:25:40 GMT 2023 , Edited by admin on Sat Dec 16 16:25:40 GMT 2023
PRIMARY
CAS
152661-13-7
Created by admin on Sat Dec 16 16:25:40 GMT 2023 , Edited by admin on Sat Dec 16 16:25:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID90934562
Created by admin on Sat Dec 16 16:25:40 GMT 2023 , Edited by admin on Sat Dec 16 16:25:40 GMT 2023
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