tert-butyl 2-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-(2-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-ethylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)OC(C)(C)C)N3CCOCC3

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)OC(C)(C)C)N3CCOCC3

InChI

InChI=1S/C20H28N4O3S/c1-5-15-8-6-7-9-16(15)24-18(23-10-12-26-13-11-23)21-22-19(24)28-14-17(25)27-20(2,3)4/h6-9H,5,10-14H2,1-4H3