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

Systemtic Name: phenacyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC(=O)C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC(=O)C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C18H17N3O3S2/c1-2-21-17(15-9-6-10-25-15)19-20-18(21)26-12-16(23)24-11-14(22)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3