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

Systemtic Name: (4-chlorophenyl)methyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (4-chlorophenyl)methyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid (4-chlorobenzyl) ester Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClN3O2S/c1-2-23-18(15-6-4-3-5-7-15)21-22-19(23)26-13-17(24)25-12-14-8-10-16(20)11-9-14/h3-11H,2,12-13H2,1H3