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

Systemtic Name: 4-[[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C23H21BrFN5O2S MolecularWeight: 530.412543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)Br)OCC4=CC=CC=C4F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)Br)OCC4=CC=CC=C4F

InChI

InChI=1S/C23H21BrFN5O2S/c1-2-31-20-12-15(11-18(24)21(20)32-14-17-5-3-4-6-19(17)25)13-27-30-22(28-29-23(30)33)16-7-9-26-10-8-16/h3-12,27H,2,13-14H2,1H3,(H,29,33)