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

Systemtic Name: 1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]carbonyl-piperazin-1-yl]propan-1-one Openeye Name: 1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]propan-1-one CAS Name: 1-[2-methyl-4-[oxo-[3-[[(6-phenyl-3-pyridazinyl)thio]methyl]phenyl]methyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[2-methyl-4-[3-[[(6-phenylpyridazin-3-yl)thio]methyl]benzoyl]piperazino]propan-1-one Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O2S/c1-3-25(31)30-15-14-29(17-19(30)2)26(32)22-11-7-8-20(16-22)18-33-24-13-12-23(27-28-24)21-9-5-4-6-10-21/h4-13,16,19H,3,14-15,17-18H2,1-2H3