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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN4O3S/c1-3-22-16(21-6-8-25-9-7-21)19-20-17(22)26-11-14(23)12-4-5-15(24-2)13(18)10-12/h4-5,10H,3,6-9,11H2,1-2H3