The Biofilms Structural Database
|
|
The Biofilms Structural Database |
2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate |
|
|---|---|
5EP2 |
|
Code
AZU | |
|
Name |
2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate |
|
Molecular Weight |
273.31 |
|
Isomeric SMILES |
CC(C)(C)COC(=O)CSc1n[nH]c(=O)[nH]c1=O |
|
Formula |
C10H15N3O4S |
|
Identifiers |
2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C10H15N3O4S/c1-10(2,3)5-17-6(14)4-18-8-7(15)11-9(16)13-12-8/h4-5H2,1-3H3,(H2,11,13,15,16) |
|
Atom Count |
33 |
|
InChIKey |
HHKUCSHMOMLQAX-UHFFFAOYSA-N |
|
PDB codes |
5EP2 |
|
Type |
NON-POLYMER |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
33 |
|
Aromatic Bond Count |
0 |
|
Leaving Atoms |
n/a |