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

Systemtic Name: 4-chloranyl-1-[2-methyl-4-[5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-yl]carbonyl-piperazin-1-yl]butan-1-one Openeye Name: 4-chloro-1-[2-methyl-4-[5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carbonyl]piperazin-1-yl]butan-1-one CAS Name: 4-chloro-1-[2-methyl-4-[oxo-[5-[[(6-phenyl-3-pyridazinyl)thio]methyl]-2-furanyl]methyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-chloro-1-[2-methyl-4-[5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carbonyl]piperazin-1-yl]butan-1-one Traditional Name: 4-chloro-1-[2-methyl-4-[5-[[(6-phenylpyridazin-3-yl)thio]methyl]-2-furoyl]piperazino]butan-1-one Formula: C25H27ClN4O3S MolecularWeight: 499.02488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CCCCl)C(=O)C2=CC=C(O2)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)CCCCl)C(=O)C2=CC=C(O2)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27ClN4O3S/c1-18-16-29(14-15-30(18)24(31)8-5-13-26)25(32)22-11-9-20(33-22)17-34-23-12-10-21(27-28-23)19-6-3-2-4-7-19/h2-4,6-7,9-12,18H,5,8,13-17H2,1H3