N-[(E)-1-pyridin-2-ylethylideneamino]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-[(E)-1-pyridin-2-ylethylideneamino]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-[(E)-1-(2-pyridyl)ethylideneamino]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-[(E)-1-(2-pyridinyl)ethylideneamino]-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-[(E)-1-pyridin-2-ylethylideneamino]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-[(E)-1-(2-pyridyl)ethylideneamino]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C19H20F3N5S MolecularWeight: 407.45581

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=N3

Isomeric SMILES

C/C(=N\NC(=S)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)/C3=CC=CC=N3

InChI

InChI=1S/C19H20F3N5S/c1-14(17-7-2-3-8-23-17)24-25-18(28)27-11-9-26(10-12-27)16-6-4-5-15(13-16)19(20,21)22/h2-8,13H,9-12H2,1H3,(H,25,28)/b24-14+