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

Systemtic Name: 4-[[3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C24H22BrFN4O2S MolecularWeight: 529.424483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)Br)OCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)Br)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H22BrFN4O2S/c1-2-31-21-13-17(12-20(25)22(21)32-15-16-8-10-19(26)11-9-16)14-27-30-23(28-29-24(30)33)18-6-4-3-5-7-18/h3-13,27H,2,14-15H2,1H3,(H,29,33)