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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-ethylpiperazino)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C24H28N6O3S MolecularWeight: 480.58252

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N6O3S/c1-2-27-14-16-28(17-15-27)22(31)9-6-18-34-24-26-25-23(29(24)20-7-4-3-5-8-20)19-10-12-21(13-11-19)30(32)33/h3-5,7-8,10-13H,2,6,9,14-18H2,1H3