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

Systemtic Name: methyl 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3O2S/c1-3-17-12(9-4-6-10(14)7-5-9)15-16-13(17)20-8-11(18)19-2/h4-7H,3,8H2,1-2H3