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

Systemtic Name: (2-chlorophenyl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (2-chlorophenyl)methyl 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid (2-chlorobenzyl) ester Formula: C17H16ClN3O2S2 MolecularWeight: 393.91084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=CC=CC=C2Cl)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=CC=CC=C2Cl)C3=CC=CS3

InChI

InChI=1S/C17H16ClN3O2S2/c1-2-21-16(14-8-5-9-24-14)19-20-17(21)25-11-15(22)23-10-12-6-3-4-7-13(12)18/h3-9H,2,10-11H2,1H3