3-phenylsulfanyl-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-phenylsulfanyl-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-phenylsulfanyl-1-[4-[6-(2-thienyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one CAS Name: 3-(phenylthio)-1-[4-(6-thiophen-2-yl-3-pyridazinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-phenylsulfanyl-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(phenylthio)-1-[4-[6-(2-thienyl)pyridazin-3-yl]piperazino]propan-1-one Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC=CS3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC=CS3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS2/c26-21(10-16-27-17-5-2-1-3-6-17)25-13-11-24(12-14-25)20-9-8-18(22-23-20)19-7-4-15-28-19/h1-9,15H,10-14,16H2