2-[[4,5-bis(hydroxymethyl)-1,2,3-triazol-1-yl]methylsulfanyl]ethyl ethanoate

Systemtic Name: 2-[[4,5-bis(hydroxymethyl)-1,2,3-triazol-1-yl]methylsulfanyl]ethyl ethanoate Openeye Name: 2-[[4,5-bis(hydroxymethyl)triazol-1-yl]methylsulfanyl]ethyl acetate CAS Name: acetic acid 2-[[4,5-bis(hydroxymethyl)-1-triazolyl]methylthio]ethyl ester IUPAC Name: 2-[[4,5-bis(hydroxymethyl)triazol-1-yl]methylsulfanyl]ethyl acetate Traditional Name: acetic acid 2-[(4,5-dimethyloltriazol-1-yl)methylthio]ethyl ester Formula: C9H15N3O4S MolecularWeight: 261.2981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSCN1C(=C(N=N1)CO)CO

Isomeric SMILES

CC(=O)OCCSCN1C(=C(N=N1)CO)CO

InChI

InChI=1S/C9H15N3O4S/c1-7(15)16-2-3-17-6-12-9(5-14)8(4-13)10-11-12/h13-14H,2-6H2,1H3