2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[1-(2,3-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=C(C(=CC=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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