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

Systemtic Name: 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4,5-dimethyl-1-(2-methylpropyl)-2-imidazolyl]thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])CC(C)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])CC(C)C)C

InChI

InChI=1S/C21H29N5O3S/c1-15(2)13-25-17(4)16(3)22-21(25)30-14-20(27)24-11-9-23(10-12-24)18-5-7-19(8-6-18)26(28)29/h5-8,15H,9-14H2,1-4H3