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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)C4=CC=CC=C4

InChI

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