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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-acetylpiperazino)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C24H26N6O4S MolecularWeight: 494.56604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N6O4S/c1-18(31)27-13-15-28(16-14-27)22(32)8-5-17-35-24-26-25-23(29(24)20-6-3-2-4-7-20)19-9-11-21(12-10-19)30(33)34/h2-4,6-7,9-12H,5,8,13-17H2,1H3