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

Systemtic Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-pentan-1-one Openeye Name: 5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)pentan-1-one CAS Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-pentanone IUPAC Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylpentan-1-one Traditional Name: 5-[[4-phenyl-5-(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)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)N4CCCCC4

InChI

InChI=1S/C25H30N4OS/c1-20-13-15-21(16-14-20)24-26-27-25(29(24)22-10-4-2-5-11-22)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