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

Systemtic Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-phenyl-1-piperidino-ethanone Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1S[C@@H](C2=CC=CC=C2)C(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-2-27-21(19-14-8-4-9-15-19)24-25-23(27)29-20(18-12-6-3-7-13-18)22(28)26-16-10-5-11-17-26/h3-4,6-9,12-15,20H,2,5,10-11,16-17H2,1H3/t20-/m0/s1