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

Systemtic Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)butan-1-one Openeye Name: 1-(4-methyl-1-piperidyl)-4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)-1-butanone IUPAC Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)butan-1-one Traditional Name: 1-(4-methylpiperidino)-4-[[5-phenyl-4-(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=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4OS/c1-19-10-12-22(13-11-19)29-24(21-7-4-3-5-8-21)26-27-25(29)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