3-phenylsulfanyl-1-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-phenylsulfanyl-1-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one Openeye Name: 3-phenylsulfanyl-1-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one CAS Name: 3-(phenylthio)-1-[4-[6-(2,4,5-trimethylphenyl)-3-pyridazinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-phenylsulfanyl-1-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one Traditional Name: 3-(phenylthio)-1-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazino]propan-1-one Formula: C26H30N4OS MolecularWeight: 446.6076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN=C(C=C2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN=C(C=C2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4)C)C

InChI

InChI=1S/C26H30N4OS/c1-19-17-21(3)23(18-20(19)2)24-9-10-25(28-27-24)29-12-14-30(15-13-29)26(31)11-16-32-22-7-5-4-6-8-22/h4-10,17-18H,11-16H2,1-3H3