1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-[6-(cyclohexoxy)pyridazin-3-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-(6-cyclohexyloxy-3-pyridazinyl)-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-[6-(cyclohexoxy)pyridazin-3-yl]piperazino]ethanone Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=NN=C(C=C2)N3CCN(CC3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC2=NN=C(C=C2)N3CCN(CC3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O2S/c28-23(18-30-17-19-7-3-1-4-8-19)27-15-13-26(14-16-27)21-11-12-22(25-24-21)29-20-9-5-2-6-10-20/h1,3-4,7-8,11-12,20H,2,5-6,9-10,13-18H2