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

Systemtic Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-pentan-1-one Openeye Name: 5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)pentan-1-one CAS Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-pentanone IUPAC Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylpentan-1-one Traditional Name: 5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-pentan-1-one Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4OS/c1-20-13-15-22(16-14-20)29-24(21-10-4-2-5-11-21)26-27-25(29)31-19-9-6-12-23(30)28-17-7-3-8-18-28/h2,4-5,10-11,13-16H,3,6-9,12,17-19H2,1H3