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

Systemtic Name: 1-morpholin-4-yl-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-morpholino-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-morpholinyl)-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-morpholin-4-yl-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-morpholino-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC(C(=O)N1CCOCC1)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C21H29N5O2S/c1-17(20(27)25-12-14-28-15-13-25)29-21-23-22-19(16-24-10-6-3-7-11-24)26(21)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3