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

Systemtic Name: phenacyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-2-23-19(16-11-7-4-8-12-16)21-22-20(23)27-14-18(25)26-13-17(24)15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3