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

Systemtic Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperazin-1-yl)pentan-1-one Openeye Name: 1-(3-methylpiperazin-1-yl)-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(3-methyl-1-piperazinyl)-1-pentanone IUPAC Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperazin-1-yl)pentan-1-one Traditional Name: 1-(3-methylpiperazino)-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CN(CCN1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H31N5OS/c1-19-11-13-21(14-12-19)24-27-28-25(30(24)22-8-4-3-5-9-22)32-17-7-6-10-23(31)29-16-15-26-20(2)18-29/h3-5,8-9,11-14,20,26H,6-7,10,15-18H2,1-2H3