1-[3-methyl-4-(3-nitrophenyl)carbonyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone

Systemtic Name: 1-[3-methyl-4-(3-nitrophenyl)carbonyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone Openeye Name: 1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone CAS Name: 1-[3-methyl-4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-2-[(6-phenyl-3-pyridazinyl)thio]ethanone IUPAC Name: 1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanylethanone Traditional Name: 1-[3-methyl-4-(3-nitrobenzoyl)piperazino]-2-[(6-phenylpyridazin-3-yl)thio]ethanone Formula: C24H23N5O4S MolecularWeight: 477.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H23N5O4S/c1-17-15-27(12-13-28(17)24(31)19-8-5-9-20(14-19)29(32)33)23(30)16-34-22-11-10-21(25-26-22)18-6-3-2-4-7-18/h2-11,14,17H,12-13,15-16H2,1H3