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

Systemtic Name: (2R)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2R)-2-phenyl-1-(1-piperidyl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: (2R)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2R)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2R)-2-phenyl-1-piperidino-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)S[C@H](C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C22H24N4OS/c1-16-10-12-18(13-11-16)20-23-22(25-24-20)28-19(17-8-4-2-5-9-17)21(27)26-14-6-3-7-15-26/h2,4-5,8-13,19H,3,6-7,14-15H2,1H3,(H,23,24,25)/t19-/m1/s1