[4-[2-[bis(fluoranyl)methylsulfanyl]pyridin-3-yl]carbonylpiperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[2-[bis(fluoranyl)methylsulfanyl]pyridin-3-yl]carbonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[[2-(difluoromethylthio)-3-pyridinyl]-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[2-(difluoromethylthio)nicotinoyl]piperazino]-phenyl-methanone Formula: C18H17F2N3O2S MolecularWeight: 377.408286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC(F)F

InChI

InChI=1S/C18H17F2N3O2S/c19-18(20)26-15-14(7-4-8-21-15)17(25)23-11-9-22(10-12-23)16(24)13-5-2-1-3-6-13/h1-8,18H,9-12H2