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

Systemtic Name: 1-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazino]-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C25H25ClN4O3S MolecularWeight: 497.009

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H25ClN4O3S/c1-34-20-9-7-18(8-10-20)22(31)11-12-23(32)29-15-13-28(14-16-29)21-17-27-30(25(33)24(21)26)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3