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Details

Stereochemistry ACHIRAL
Molecular Formula C19H17N4S.C2H3O2
Molecular Weight 392.474
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1-methyl-3-[(3-methyl-2(3H)-thiazolylidene)hydrazono]-2-phenyl-3H-Indolium acetate

SMILES

CC([O-])=O.CN1C=CSC1=NN=C2C3=CC=CC=C3[N+](C)=C2C4=CC=CC=C4

InChI

InChIKey=ZKJQYZFOLOZTBN-UHFFFAOYSA-M
InChI=1S/C19H17N4S.C2H4O2/c1-22-12-13-24-19(22)21-20-17-15-10-6-7-11-16(15)23(2)18(17)14-8-4-3-5-9-14;1-2(3)4/h3-13H,1-2H3;1H3,(H,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C2H3O2
Molecular Weight 59.044
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H17N4S
Molecular Weight 333.43
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:33:29 GMT 2023
Edited
by admin
on Sat Dec 16 12:33:29 GMT 2023
Record UNII
BK353Q44AE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-methyl-3-[(3-methyl-2(3H)-thiazolylidene)hydrazono]-2-phenyl-3H-Indolium acetate
Systematic Name English
3H-Indolium, 1-methyl-3-[(3-methyl-2(3H)-thiazolylidene)hydrazono]-2-phenyl-, acetate
Systematic Name English
3H-Indolium, 1-methyl-3-[2-(3-methyl-2(3H)-thiazolylidene)hydrazinylidene]-2-phenyl-, acetate (1:1)
Systematic Name English
Code System Code Type Description
CAS
84787-87-1
Created by admin on Sat Dec 16 12:33:29 GMT 2023 , Edited by admin on Sat Dec 16 12:33:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
284-128-4
Created by admin on Sat Dec 16 12:33:29 GMT 2023 , Edited by admin on Sat Dec 16 12:33:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID3072909
Created by admin on Sat Dec 16 12:33:29 GMT 2023 , Edited by admin on Sat Dec 16 12:33:29 GMT 2023
PRIMARY
PUBCHEM
163422
Created by admin on Sat Dec 16 12:33:29 GMT 2023 , Edited by admin on Sat Dec 16 12:33:29 GMT 2023
PRIMARY
FDA UNII
BK353Q44AE
Created by admin on Sat Dec 16 12:33:29 GMT 2023 , Edited by admin on Sat Dec 16 12:33:29 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE