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

Systemtic Name: methyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2S/c1-3-16-12(10-7-5-4-6-8-10)14-15-13(16)19-9-11(17)18-2/h4-8H,3,9H2,1-2H3