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

Systemtic Name: methyl 3-[[5-(2-azanylethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(2-aminoethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(2-aminoethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(2-aminoethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(2-aminoethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C10H18N4O2S MolecularWeight: 258.34052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)OC)CCN

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)OC)CCN

InChI

InChI=1S/C10H18N4O2S/c1-3-14-8(4-6-11)12-13-10(14)17-7-5-9(15)16-2/h3-7,11H2,1-2H3