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

Systemtic Name: 1-[3-methyl-4-(4-methyl-3-nitro-phenyl)carbonyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone Openeye Name: 1-[3-methyl-4-(4-methyl-3-nitro-benzoyl)piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone CAS Name: 1-[3-methyl-4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]-2-[(6-phenyl-3-pyridazinyl)thio]ethanone IUPAC Name: 1-[3-methyl-4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanylethanone Traditional Name: 1-[3-methyl-4-(4-methyl-3-nitro-benzoyl)piperazino]-2-[(6-phenylpyridazin-3-yl)thio]ethanone Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O4S/c1-17-8-9-20(14-22(17)30(33)34)25(32)29-13-12-28(15-18(29)2)24(31)16-35-23-11-10-21(26-27-23)19-6-4-3-5-7-19/h3-11,14,18H,12-13,15-16H2,1-2H3