2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(1-methyl-5-phenyl-2-imidazolyl)thio]-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]-1-[4-(2-nitrophenyl)piperazino]ethanone Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1C(=CN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O3S/c1-24-20(17-7-3-2-4-8-17)15-23-22(24)31-16-21(28)26-13-11-25(12-14-26)18-9-5-6-10-19(18)27(29)30/h2-10,15H,11-14,16H2,1H3