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

Systemtic Name: (2R)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2R)-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2R)-2-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2R)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2R)-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]-2-phenyl-1-piperidino-ethanone Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCCC3)N4CCOCC4

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3)N4CCOCC4

InChI

InChI=1S/C21H29N5O2S/c1-2-26-20(25-13-15-28-16-14-25)22-23-21(26)29-18(17-9-5-3-6-10-17)19(27)24-11-7-4-8-12-24/h3,5-6,9-10,18H,2,4,7-8,11-16H2,1H3/t18-/m1/s1