1-[4-[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]carbothioylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]carbothioylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[5-(4-chloro-2-nitro-phenyl)furan-2-carbothioyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[5-(4-chloro-2-nitrophenyl)-2-furanyl]-sulfanylidenemethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[5-(4-chloro-2-nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-(4-chloro-2-nitro-phenyl)furan-2-carbothioyl]piperazino]ethanone Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=S)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=S)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O4S/c1-11(22)19-6-8-20(9-7-19)17(26)16-5-4-15(25-16)13-3-2-12(18)10-14(13)21(23)24/h2-5,10H,6-9H2,1H3