3-pyridin-4-yl-4-[[2-(trifluoromethyl)phenyl]methylamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-pyridin-4-yl-4-[[2-(trifluoromethyl)phenyl]methylamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-pyridyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-pyridin-4-yl-4-[[2-(trifluoromethyl)phenyl]methylamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-pyridin-4-yl-4-[[2-(trifluoromethyl)phenyl]methylamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-pyridyl)-4-[[2-(trifluoromethyl)benzyl]amino]-1H-1,2,4-triazole-5-thione Formula: C15H12F3N5S MolecularWeight: 351.34949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C15H12F3N5S/c16-15(17,18)12-4-2-1-3-11(12)9-20-23-13(21-22-14(23)24)10-5-7-19-8-6-10/h1-8,20H,9H2,(H,22,24)