U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C10H15N3O3S
Molecular Weight 257.309
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-((3-METHYL-1,1-DIOXIDO-4-THIOMORPHOLINYL)IMINO)-4-OXO-PENTANENITRILE

SMILES

CC1CS(=O)(=O)CCN1\N=C\C(=O)CCC#N

InChI

InChIKey=AZOCTOVKERTEJT-KPKJPENVSA-N
InChI=1S/C10H15N3O3S/c1-9-8-17(15,16)6-5-13(9)12-7-10(14)3-2-4-11/h7,9H,2-3,5-6,8H2,1H3/b12-7+

HIDE SMILES / InChI

Approval Year

Name Type Language
5-((3-METHYL-1,1-DIOXIDO-4-THIOMORPHOLINYL)IMINO)-4-OXO-PENTANENITRILE
Systematic Name English
NIFURTIMOX METABOLITE M-1
Common Name English
PENTANENITRILE, 5-((3-METHYL-1,1-DIOXIDO-4-THIOMORPHOLINYL)IMINO)-4-OXO-
Systematic Name English
Code System Code Type Description
PUBCHEM
156596394
Created by admin on Sat Dec 16 17:26:36 GMT 2023 , Edited by admin on Sat Dec 16 17:26:36 GMT 2023
PRIMARY
FDA UNII
UGA3SKR23V
Created by admin on Sat Dec 16 17:26:36 GMT 2023 , Edited by admin on Sat Dec 16 17:26:36 GMT 2023
PRIMARY
CAS
1378233-39-6
Created by admin on Sat Dec 16 17:26:36 GMT 2023 , Edited by admin on Sat Dec 16 17:26:36 GMT 2023
PRIMARY