N-[[2,6-bis(fluoranyl)phenyl]methyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-thiadiazol-3-amine

Systemtic Name: N-[[2,6-bis(fluoranyl)phenyl]methyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-thiadiazol-3-amine Openeye Name: N-[(2,6-difluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-thiadiazol-3-amine CAS Name: N-[(2,6-difluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1,2,4-thiadiazol-3-amine IUPAC Name: N-[(2,6-difluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-thiadiazol-3-amine Traditional Name: (2,6-difluorobenzyl)-[5-[4-[3-(trifluoromethyl)phenyl]piperazino]-1,2,4-thiadiazol-3-yl]amine Formula: C20H18F5N5S MolecularWeight: 455.447436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=NS3)NCC4=C(C=CC=C4F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=NS3)NCC4=C(C=CC=C4F)F

InChI

InChI=1S/C20H18F5N5S/c21-16-5-2-6-17(22)15(16)12-26-18-27-19(31-28-18)30-9-7-29(8-10-30)14-4-1-3-13(11-14)20(23,24)25/h1-6,11H,7-10,12H2,(H,26,28)