The Biofilms Structural Database |
2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate |
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5EP2 |
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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 |