2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-(2-furylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-(2-furanylmethyl)-5-propyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(2-furfuryl)-5-propyl-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2=CC=CO2)SCC(=O)N3CCOCC3

Isomeric SMILES

CCCC1=NN=C(N1CC2=CC=CO2)SCC(=O)N3CCOCC3

InChI

InChI=1S/C16H22N4O3S/c1-2-4-14-17-18-16(20(14)11-13-5-3-8-23-13)24-12-15(21)19-6-9-22-10-7-19/h3,5,8H,2,4,6-7,9-12H2,1H3