3-phenylsulfanyl-1-[4-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-phenylsulfanyl-1-[4-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one Openeye Name: 3-phenylsulfanyl-1-[4-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one CAS Name: 3-(phenylthio)-1-[4-[6-(3,4,5-trimethoxyphenyl)-3-pyridazinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-phenylsulfanyl-1-[4-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one Traditional Name: 3-(phenylthio)-1-[4-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]piperazino]propan-1-one Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O4S/c1-32-22-17-19(18-23(33-2)26(22)34-3)21-9-10-24(28-27-21)29-12-14-30(15-13-29)25(31)11-16-35-20-7-5-4-6-8-20/h4-10,17-18H,11-16H2,1-3H3