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

Systemtic Name: 2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenethylpiperidin-1-yl)ethanone Openeye Name: 2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenethyl-1-piperidyl)ethanone CAS Name: 2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-phenethyl-1-piperidinyl)ethanone IUPAC Name: 2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenethylpiperidin-1-yl)ethanone Traditional Name: 2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-phenethylpiperidino)ethanone Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C27H33N5O2S/c33-25(30-15-13-23(14-16-30)12-11-22-7-3-1-4-8-22)21-35-27-29-28-26(31-17-19-34-20-18-31)32(27)24-9-5-2-6-10-24/h1-10,23H,11-21H2