1-morpholin-4-yl-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-morpholin-4-yl-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-morpholino-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-morpholinyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-morpholin-4-yl-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-morpholino-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)N1CCOCC1)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C22H26N4O2S2/c1-17(21(27)25-11-13-28-14-12-25)30-22-24-23-20(16-19-8-5-15-29-19)26(22)10-9-18-6-3-2-4-7-18/h2-8,15,17H,9-14,16H2,1H3