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

Systemtic Name: ethyl 2-[[5-(4-chloranyl-5-ethyl-2-methyl-pyrazol-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[5-(4-chloro-5-ethyl-2-methyl-pyrazol-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-(4-chloro-5-ethyl-2-methyl-3-pyrazolyl)-1H-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-(4-chloro-5-ethyl-2-methyl-pyrazol-3-yl)-1H-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C13H18ClN5O2S MolecularWeight: 343.83232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1Cl)C2=NC(=NN2)SC(C)C(=O)OCC)C

Isomeric SMILES

CCC1=NN(C(=C1Cl)C2=NC(=NN2)SC(C)C(=O)OCC)C

InChI

InChI=1S/C13H18ClN5O2S/c1-5-8-9(14)10(19(4)18-8)11-15-13(17-16-11)22-7(3)12(20)21-6-2/h7H,5-6H2,1-4H3,(H,15,16,17)