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

Systemtic Name: ethyl 2-[[4-azanyl-5-(5-ethyl-2-methyl-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[4-amino-5-(5-ethyl-2-methyl-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-amino-5-(5-ethyl-2-methyl-3-pyrazolyl)-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-amino-5-(5-ethyl-2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-amino-5-(5-ethyl-2-methyl-pyrazol-3-yl)-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C13H20N6O2S MolecularWeight: 324.4019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C2=NN=C(N2N)SC(C)C(=O)OCC)C

Isomeric SMILES

CCC1=NN(C(=C1)C2=NN=C(N2N)SC(C)C(=O)OCC)C

InChI

InChI=1S/C13H20N6O2S/c1-5-9-7-10(18(4)17-9)11-15-16-13(19(11)14)22-8(3)12(20)21-6-2/h7-8H,5-6,14H2,1-4H3