N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C17H19F2N4S2+ MolecularWeight: 381.486366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C17H18F2N4S2/c18-16(19)25-14-6-4-13(5-7-14)21-17(24)23-11-9-22(10-12-23)15-3-1-2-8-20-15/h1-8,16H,9-12H2,(H,21,24)/p+1