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

Systemtic Name: ethyl 2-[[4-azanyl-5-(4-chloranyl-5-ethyl-2-methyl-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[4-amino-5-(4-chloro-5-ethyl-2-methyl-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-amino-5-(4-chloro-5-ethyl-2-methyl-3-pyrazolyl)-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-amino-5-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-amino-5-(4-chloro-5-ethyl-2-methyl-pyrazol-3-yl)-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C13H19ClN6O2S MolecularWeight: 358.84696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1Cl)C2=NN=C(N2N)SC(C)C(=O)OCC)C

Isomeric SMILES

CCC1=NN(C(=C1Cl)C2=NN=C(N2N)SC(C)C(=O)OCC)C

InChI

InChI=1S/C13H19ClN6O2S/c1-5-8-9(14)10(19(4)18-8)11-16-17-13(20(11)15)23-7(3)12(21)22-6-2/h7H,5-6,15H2,1-4H3