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

Systemtic Name: ethyl 2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C11H17N3O2S MolecularWeight: 255.33658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCC(=O)OCC

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCC(=O)OCC

InChI

InChI=1S/C11H17N3O2S/c1-4-7-14-9(5-2)12-13-11(14)17-8-10(15)16-6-3/h4H,1,5-8H2,2-3H3