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

Systemtic Name: 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[1-(3-chlorophenyl)-2-imidazolyl]thio]-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[1-(3-chlorophenyl)imidazol-2-yl]thio]-1-[4-(2-nitrophenyl)piperazino]ethanone Formula: C21H20ClN5O3S MolecularWeight: 457.9332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CSC3=NC=CN3C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CSC3=NC=CN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H20ClN5O3S/c22-16-4-3-5-17(14-16)26-9-8-23-21(26)31-15-20(28)25-12-10-24(11-13-25)18-6-1-2-7-19(18)27(29)30/h1-9,14H,10-13,15H2