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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-(4-acetylpiperazino)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C25H28N6O4S MolecularWeight: 508.59262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O4S/c1-19(32)28-14-16-29(17-15-28)23(33)9-5-6-18-36-25-27-26-24(30(25)21-7-3-2-4-8-21)20-10-12-22(13-11-20)31(34)35/h2-4,7-8,10-13H,5-6,9,14-18H2,1H3