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

Systemtic Name: (2S)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2S)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2S)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2S)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2S)-2-[[4-methyl-5-(p-tolyl)-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:

CC1=CC=C(C=C1)C2=NN=C(N2C)SC(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)S[C@@H](C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

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