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

Systemtic Name: (4-ethoxyphenyl) 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (4-ethoxyphenyl) 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 (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) 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 p-phenetyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC2=CC=C(C=C2)OCC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC2=CC=C(C=C2)OCC)C3=CC=CS3

InChI

InChI=1S/C18H19N3O3S2/c1-3-21-17(15-6-5-11-25-15)19-20-18(21)26-12-16(22)24-14-9-7-13(8-10-14)23-4-2/h5-11H,3-4,12H2,1-2H3