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

Systemtic Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-1-piperidino-ethanone Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)S[C@@H](C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C19H26N4OS/c1-19(2,3)17-20-18(22-21-17)25-15(14-10-6-4-7-11-14)16(24)23-12-8-5-9-13-23/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3,(H,20,21,22)/t15-/m0/s1