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

Systemtic Name: ethyl 2-[[5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-phenyl-5-p-phenetyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OCC

InChI

InChI=1S/C20H21N3O3S/c1-3-25-17-12-10-15(11-13-17)19-21-22-20(27-14-18(24)26-4-2)23(19)16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3