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

Systemtic Name: ethyl 2-[[4-phenyl-5-[(4-propoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-phenyl-5-[(4-propoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-[(4-propoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-phenyl-5-[(4-propoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(4-propoxybenzyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)OCC

InChI

InChI=1S/C22H25N3O3S/c1-3-14-28-19-12-10-17(11-13-19)15-20-23-24-22(29-16-21(26)27-4-2)25(20)18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3