ethyl 4-[3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[3-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(COC2=CC=C(C=C2)C(=O)OCC)O)N3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(COC2=CC=C(C=C2)C(=O)OCC)O)N3CCOCC3

InChI

InChI=1S/C20H28N4O5S/c1-3-24-19(23-9-11-27-12-10-23)21-22-20(24)30-14-16(25)13-29-17-7-5-15(6-8-17)18(26)28-4-2/h5-8,16,25H,3-4,9-14H2,1-2H3