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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-acetylpiperazino)-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C25H29N5O2S MolecularWeight: 463.59506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C25H29N5O2S/c1-19-10-12-21(13-11-19)24-26-27-25(30(24)22-7-4-3-5-8-22)33-18-6-9-23(32)29-16-14-28(15-17-29)20(2)31/h3-5,7-8,10-13H,6,9,14-18H2,1-2H3