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

Systemtic Name: 1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylethanoyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[2-methyl-4-[1-oxo-2-[(6-phenyl-3-pyridazinyl)thio]ethyl]-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]piperazin-1-yl]-2-phenylethanone Traditional Name: 1-[2-methyl-4-[2-[(6-phenylpyridazin-3-yl)thio]acetyl]piperazino]-2-phenyl-ethanone Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=CC=C2)C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=CC=C2)C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2S/c1-19-17-28(14-15-29(19)24(30)16-20-8-4-2-5-9-20)25(31)18-32-23-13-12-22(26-27-23)21-10-6-3-7-11-21/h2-13,19H,14-18H2,1H3