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

Systemtic Name: ethyl 4-[(2S)-3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2S)-3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2S)-3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2S)-3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(COC2=CC=C(C=C2)C(=O)OCC)O)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SC[C@H](COC2=CC=C(C=C2)C(=O)OCC)O)C3CC3

InChI

InChI=1S/C19H25N3O4S/c1-3-22-17(13-5-6-13)20-21-19(22)27-12-15(23)11-26-16-9-7-14(8-10-16)18(24)25-4-2/h7-10,13,15,23H,3-6,11-12H2,1-2H3/t15-/m0/s1