6-[4-[[5-(4-bromophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonylpyridazin-3-olate

Systemtic Name: 6-[4-[[5-(4-bromophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonylpyridazin-3-olate Openeye Name: 6-[4-[[5-(4-bromophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]pyridazin-3-olate CAS Name: 6-[[4-[[5-(4-bromophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[4-[[5-(4-bromophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]pyridazin-3-olate Traditional Name: 6-[4-[[5-(4-bromophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]pyridazin-3-olate Formula: C20H18BrN4O2S- MolecularWeight: 458.35152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC=C(C=C3)Br)C(=O)C4=NN=C(C=C4)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC=C(C=C3)Br)C(=O)C4=NN=C(C=C4)[O-]

InChI

InChI=1S/C20H19BrN4O2S/c21-15-3-1-14(2-4-15)18-7-5-16(28-18)13-24-9-11-25(12-10-24)20(27)17-6-8-19(26)23-22-17/h1-8H,9-13H2,(H,23,26)/p-1