[4-(6-phenethylsulfanylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

Systemtic Name: [4-(6-phenethylsulfanylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone Openeye Name: [4-(6-phenethylsulfanylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone CAS Name: [4-[6-(phenethylthio)-3-pyridazinyl]-1-piperazinyl]-[2-(trifluoromethyl)phenyl]methanone IUPAC Name: [4-(6-phenethylsulfanylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone Traditional Name: [4-[6-(phenethylthio)pyridazin-3-yl]piperazino]-[2-(trifluoromethyl)phenyl]methanone Formula: C24H23F3N4OS MolecularWeight: 472.52583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)SCCC3=CC=CC=C3)C(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)SCCC3=CC=CC=C3)C(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C24H23F3N4OS/c25-24(26,27)20-9-5-4-8-19(20)23(32)31-15-13-30(14-16-31)21-10-11-22(29-28-21)33-17-12-18-6-2-1-3-7-18/h1-11H,12-17H2