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

Systemtic Name: methyl 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)OC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)OC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3O2S/c1-4-18-12(10-5-7-11(15)8-6-10)16-17-14(18)21-9(2)13(19)20-3/h5-9H,4H2,1-3H3