ethyl 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C8H13N3O2S MolecularWeight: 215.27272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C)C

InChI

InChI=1S/C8H13N3O2S/c1-4-13-7(12)5-14-8-10-9-6(2)11(8)3/h4-5H2,1-3H3