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

Systemtic Name: 1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylethanoyl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[2-methyl-4-[1-oxo-2-[(6-phenyl-3-pyridazinyl)thio]ethyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[2-methyl-4-[2-[(6-phenylpyridazin-3-yl)thio]acetyl]piperazino]-2-phenyl-butan-1-one Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2C)C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2C)C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2S/c1-3-23(21-10-6-4-7-11-21)27(33)31-17-16-30(18-20(31)2)26(32)19-34-25-15-14-24(28-29-25)22-12-8-5-9-13-22/h4-15,20,23H,3,16-19H2,1-2H3