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Details

Stereochemistry ACHIRAL
Molecular Formula C18H22N6S
Molecular Weight 354.472
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of n-[1-(6-methylpyridin-2-yl)ethylideneamino]-4-pyridin-2-yl-piperazine-1-carbothioamide

SMILES

CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=CC=CC(C)=N3

InChI

InChIKey=JIBKQOYQTHHUSH-QNGOZBTKSA-N
InChI=1S/C18H22N6S/c1-14-6-5-7-16(20-14)15(2)21-22-18(25)24-12-10-23(11-13-24)17-8-3-4-9-19-17/h3-9H,10-13H2,1-2H3,(H,22,25)/b21-15-

HIDE SMILES / InChI

Molecular Formula C18H22N6S
Molecular Weight 354.472
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 11:42:39 GMT 2023
Edited
by admin
on Sat Dec 16 11:42:39 GMT 2023
Record UNII
2HGR9L5SQ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
n-[1-(6-methylpyridin-2-yl)ethylideneamino]-4-pyridin-2-yl-piperazine-1-carbothioamide
Systematic Name English
NSC-335787
Code English
4-(2-Pyridinyl)-1-piperazinecarbothioic acid 2-[1-(6-methyl-2-pyridinyl)ethylidene]hydrazide
Systematic Name English
1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(6-methyl-2-pyridinyl)ethylidene]hydrazide
Systematic Name English
1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, 2-[1-(6-methyl-2-pyridinyl)ethylidene]hydrazide
Systematic Name English
Code System Code Type Description
CAS
86919-59-7
Created by admin on Sat Dec 16 11:42:39 GMT 2023 , Edited by admin on Sat Dec 16 11:42:39 GMT 2023
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NSC
335787
Created by admin on Sat Dec 16 11:42:39 GMT 2023 , Edited by admin on Sat Dec 16 11:42:39 GMT 2023
PRIMARY
PUBCHEM
9554702
Created by admin on Sat Dec 16 11:42:39 GMT 2023 , Edited by admin on Sat Dec 16 11:42:39 GMT 2023
PRIMARY
FDA UNII
2HGR9L5SQ7
Created by admin on Sat Dec 16 11:42:39 GMT 2023 , Edited by admin on Sat Dec 16 11:42:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID601007182
Created by admin on Sat Dec 16 11:42:39 GMT 2023 , Edited by admin on Sat Dec 16 11:42:39 GMT 2023
PRIMARY