2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3S/c1-17-3-4-18(2)21(15-17)27-10-9-24-23(27)32-16-22(29)26-13-11-25(12-14-26)19-5-7-20(8-6-19)28(30)31/h3-10,15H,11-14,16H2,1-2H3