1-[(2S)-2-methylmorpholin-4-yl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[(2S)-2-methylmorpholin-4-yl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[(2S)-2-methylmorpholin-4-yl]-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[(2S)-2-methyl-4-morpholinyl]-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[(2S)-2-methylmorpholin-4-yl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[(2S)-2-methylmorpholino]-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

C[C@H]1CN(CCO1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C20H27N5O2S/c1-16-14-24(12-13-27-16)18(26)15-28-20-22-21-19(23-10-6-3-7-11-23)25(20)17-8-4-2-5-9-17/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3/t16-/m0/s1