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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)CNN3C(=NNC3=S)C4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)CNN3C(=NNC3=S)C4=CC=NC=C4

InChI

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