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Details

Stereochemistry MIXED
Molecular Formula C20H22N4O4S2
Molecular Weight 446.543
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,7-BIS(3,4-DIMETHOXYPHENYL)TETRAHYDRO-1H,5H-(1,2,4)TRIAZOLO(1,2-A)(1,2,4)TRIAZOLE-1,5-DITHIONE

SMILES

COC1=CC=C(C=C1OC)C2NC(=S)N3C(NC(=S)N23)C4=CC=C(OC)C(OC)=C4

InChI

InChIKey=IFSLBHIBVNZLNQ-UHFFFAOYSA-N
InChI=1S/C20H22N4O4S2/c1-25-13-7-5-11(9-15(13)27-3)17-21-19(29)24-18(22-20(30)23(17)24)12-6-8-14(26-2)16(10-12)28-4/h5-10,17-18H,1-4H3,(H,21,29)(H,22,30)

HIDE SMILES / InChI

Molecular Formula C20H22N4O4S2
Molecular Weight 446.543
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:30:19 GMT 2023
Edited
by admin
on Sat Dec 16 09:30:19 GMT 2023
Record UNII
9ZKB8DV41O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,7-BIS(3,4-DIMETHOXYPHENYL)TETRAHYDRO-1H,5H-(1,2,4)TRIAZOLO(1,2-A)(1,2,4)TRIAZOLE-1,5-DITHIONE
Systematic Name English
1H,5H-(1,2,4)TRIAZOLO(1,2-A)(1,2,4)TRIAZOLE-1,5-DITHIONE, 3,7-BIS(3,4-DIMETHOXYPHENYL)TETRAHYDRO-
Systematic Name English
NSC-17493
Code English
Code System Code Type Description
PUBCHEM
3003870
Created by admin on Sat Dec 16 09:30:19 GMT 2023 , Edited by admin on Sat Dec 16 09:30:19 GMT 2023
PRIMARY
CAS
907169-79-3
Created by admin on Sat Dec 16 09:30:19 GMT 2023 , Edited by admin on Sat Dec 16 09:30:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID1048752
Created by admin on Sat Dec 16 09:30:19 GMT 2023 , Edited by admin on Sat Dec 16 09:30:19 GMT 2023
PRIMARY
NSC
17493
Created by admin on Sat Dec 16 09:30:19 GMT 2023 , Edited by admin on Sat Dec 16 09:30:19 GMT 2023
PRIMARY
FDA UNII
9ZKB8DV41O
Created by admin on Sat Dec 16 09:30:19 GMT 2023 , Edited by admin on Sat Dec 16 09:30:19 GMT 2023
PRIMARY