methyl 2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[4-(3-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-(3-ethylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-(3-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2C(=NN=C2SC(C)C(=O)OC)N3CCOCC3

Isomeric SMILES

CCC1=CC(=CC=C1)N2C(=NN=C2SC(C)C(=O)OC)N3CCOCC3

InChI

InChI=1S/C18H24N4O3S/c1-4-14-6-5-7-15(12-14)22-17(21-8-10-25-11-9-21)19-20-18(22)26-13(2)16(23)24-3/h5-7,12-13H,4,8-11H2,1-3H3