1-[2-methyl-4-[5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-yl]carbonyl-piperazin-1-yl]pentan-1-one

Systemtic Name: 1-[2-methyl-4-[5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-yl]carbonyl-piperazin-1-yl]pentan-1-one Openeye Name: 1-[2-methyl-4-[5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carbonyl]piperazin-1-yl]pentan-1-one CAS Name: 1-[2-methyl-4-[oxo-[5-[[(6-phenyl-3-pyridazinyl)thio]methyl]-2-furanyl]methyl]-1-piperazinyl]-1-pentanone IUPAC Name: 1-[2-methyl-4-[5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carbonyl]piperazin-1-yl]pentan-1-one Traditional Name: 1-[2-methyl-4-[5-[[(6-phenylpyridazin-3-yl)thio]methyl]-2-furoyl]piperazino]pentan-1-one Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C(=O)C2=CC=C(O2)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC(=O)N1CCN(CC1C)C(=O)C2=CC=C(O2)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-3-4-10-25(31)30-16-15-29(17-19(30)2)26(32)23-13-11-21(33-23)18-34-24-14-12-22(27-28-24)20-8-6-5-7-9-20/h5-9,11-14,19H,3-4,10,15-18H2,1-2H3