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

Systemtic Name: phenyl 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2S/c1-2-22-17(13-8-10-14(19)11-9-13)20-21-18(22)25-12-16(23)24-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3