1-morpholin-4-yl-2-[[5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-morpholin-4-yl-2-[[5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(2-isopropoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 1-(4-morpholinyl)-2-[[5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-morpholin-4-yl-2-[[5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[5-(2-isopropoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2=NC(=NN2)SCC(=O)N3CCOCC3

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2=NC(=NN2)SCC(=O)N3CCOCC3

InChI

InChI=1S/C17H22N4O3S/c1-12(2)24-14-6-4-3-5-13(14)16-18-17(20-19-16)25-11-15(22)21-7-9-23-10-8-21/h3-6,12H,7-11H2,1-2H3,(H,18,19,20)