ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propionic acid ethyl ester Formula: C8H13N3O2S MolecularWeight: 215.27272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NNC(=N1)C

Isomeric SMILES

CCOC(=O)C(C)SC1=NNC(=N1)C

InChI

InChI=1S/C8H13N3O2S/c1-4-13-7(12)5(2)14-8-9-6(3)10-11-8/h5H,4H2,1-3H3,(H,9,10,11)