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

Systemtic Name: phenacyl 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-2-24-19(15-8-10-16(21)11-9-15)22-23-20(24)28-13-18(26)27-12-17(25)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3