[4-(furan-2-ylcarbonyl)-3-methyl-piperazin-1-yl]-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone

Systemtic Name: [4-(furan-2-ylcarbonyl)-3-methyl-piperazin-1-yl]-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone Openeye Name: [4-(furan-2-carbonyl)-3-methyl-piperazin-1-yl]-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone CAS Name: [4-[2-furanyl(oxo)methyl]-3-methyl-1-piperazinyl]-[3-[[(6-phenyl-3-pyridazinyl)thio]methyl]phenyl]methanone IUPAC Name: [4-(furan-2-carbonyl)-3-methylpiperazin-1-yl]-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone Traditional Name: [4-(2-furoyl)-3-methyl-piperazino]-[3-[[(6-phenylpyridazin-3-yl)thio]methyl]phenyl]methanone Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC(=CC=C3)CSC4=NN=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC(=CC=C3)CSC4=NN=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3S/c1-20-18-31(14-15-32(20)28(34)25-11-6-16-35-25)27(33)23-10-5-7-21(17-23)19-36-26-13-12-24(29-30-26)22-8-3-2-4-9-22/h2-13,16-17,20H,14-15,18-19H2,1H3