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

Systemtic Name: ethyl 4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(COC2=CC=C(C=C2)C(=O)OCC)O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(COC2=CC=C(C=C2)C(=O)OCC)O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S/c1-3-25-20(16-8-6-5-7-9-16)23-24-22(25)30-15-18(26)14-29-19-12-10-17(11-13-19)21(27)28-4-2/h5-13,18,26H,3-4,14-15H2,1-2H3