1-(3,4-dimethoxyphenyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC)N3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC)N3CCOCC3

InChI

InChI=1S/C18H24N4O4S/c1-4-22-17(21-7-9-26-10-8-21)19-20-18(22)27-12-14(23)13-5-6-15(24-2)16(11-13)25-3/h5-6,11H,4,7-10,12H2,1-3H3