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

Systemtic Name: 4-[[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[5-bromo-2-(4-fluorobenzyl)oxy-benzyl]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C21H17BrFN5OS MolecularWeight: 486.359983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)CNN3C(=NNC3=S)C4=CC=NC=C4)F

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)CNN3C(=NNC3=S)C4=CC=NC=C4)F

InChI

InChI=1S/C21H17BrFN5OS/c22-17-3-6-19(29-13-14-1-4-18(23)5-2-14)16(11-17)12-25-28-20(26-27-21(28)30)15-7-9-24-10-8-15/h1-11,25H,12-13H2,(H,27,30)