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

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-[(5-phenyl-1H-imidazol-2-yl)thio]ethanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-[(5-phenyl-1H-imidazol-2-yl)thio]ethanone Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3S/c27-20(15-30-21-22-14-19(23-21)16-4-2-1-3-5-16)25-12-10-24(11-13-25)17-6-8-18(9-7-17)26(28)29/h1-9,14H,10-13,15H2,(H,22,23)