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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-(4-ethylpiperazino)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C25H30N6O3S MolecularWeight: 494.6091

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H30N6O3S/c1-2-28-15-17-29(18-16-28)23(32)10-6-7-19-35-25-27-26-24(30(25)21-8-4-3-5-9-21)20-11-13-22(14-12-20)31(33)34/h3-5,8-9,11-14H,2,6-7,10,15-19H2,1H3