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

Systemtic Name: 1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanyl-propan-1-one CAS Name: 1-[4-[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]-1-piperazinyl]-3-(phenylthio)-1-propanone IUPAC Name: 1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one Traditional Name: 1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazino]-3-(phenylthio)propan-1-one Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4)OC

InChI

InChI=1S/C25H28N4O3S/c1-31-22-10-8-19(18-23(22)32-2)21-9-11-24(27-26-21)28-13-15-29(16-14-28)25(30)12-17-33-20-6-4-3-5-7-20/h3-11,18H,12-17H2,1-2H3