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

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

Isomeric SMILES

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

InChI

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