[4-[1-(3-chlorophenyl)-5-ethyl-pyrazol-4-yl]carbonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-[1-(3-chlorophenyl)-5-ethyl-pyrazol-4-yl]carbonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-[1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carbonyl]piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-[[1-(3-chlorophenyl)-5-ethyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-[1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carbonyl]piperazino]-(5-nitro-2-thienyl)methanone Formula: C21H20ClN5O4S MolecularWeight: 473.9326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN5O4S/c1-2-17-16(13-23-26(17)15-5-3-4-14(22)12-15)20(28)24-8-10-25(11-9-24)21(29)18-6-7-19(32-18)27(30)31/h3-7,12-13H,2,8-11H2,1H3