2-methoxy-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]carbonyl-piperazin-1-yl]ethanone

Systemtic Name: 2-methoxy-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]carbonyl-piperazin-1-yl]ethanone Openeye Name: 2-methoxy-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone CAS Name: 2-methoxy-1-[2-methyl-4-[oxo-[3-[[(6-phenyl-3-pyridazinyl)thio]methyl]phenyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 2-methoxy-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone Traditional Name: 2-methoxy-1-[2-methyl-4-[3-[[(6-phenylpyridazin-3-yl)thio]methyl]benzoyl]piperazino]ethanone Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3S/c1-19-16-29(13-14-30(19)25(31)17-33-2)26(32)22-10-6-7-20(15-22)18-34-24-12-11-23(27-28-24)21-8-4-3-5-9-21/h3-12,15,19H,13-14,16-18H2,1-2H3