1-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazino]-4-(2-thienyl)butane-1,4-dione Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H21ClN4O3S/c23-21-17(15-24-27(22(21)30)16-5-2-1-3-6-16)25-10-12-26(13-11-25)20(29)9-8-18(28)19-7-4-14-31-19/h1-7,14-15H,8-13H2