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

Systemtic Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)butan-1-one Openeye Name: 1-(4-methyl-1-piperidyl)-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)-1-butanone IUPAC Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)butan-1-one Traditional Name: 1-(4-methylpiperidino)-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H30N4OS/c1-19-10-12-21(13-11-19)24-26-27-25(29(24)22-7-4-3-5-8-22)31-18-6-9-23(30)28-16-14-20(2)15-17-28/h3-5,7-8,10-13,20H,6,9,14-18H2,1-2H3