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

Systemtic Name: 4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-(2-fluorobenzyl)oxybenzyl]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C21H18FN5OS MolecularWeight: 407.463923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=CC=CC(=C2)CNN3C(=NNC3=S)C4=CC=NC=C4)F

Isomeric SMILES

C1=CC=C(C(=C1)COC2=CC=CC(=C2)CNN3C(=NNC3=S)C4=CC=NC=C4)F

InChI

InChI=1S/C21H18FN5OS/c22-19-7-2-1-5-17(19)14-28-18-6-3-4-15(12-18)13-24-27-20(25-26-21(27)29)16-8-10-23-11-9-16/h1-12,24H,13-14H2,(H,26,29)