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

Systemtic Name: 4-[[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-4-(2-fluorobenzyl)oxy-5-methoxy-benzyl]amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C23H20BrFN4O2S MolecularWeight: 515.397903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)Br)OCC4=CC=CC=C4F

Isomeric SMILES

COC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)Br)OCC4=CC=CC=C4F

InChI

InChI=1S/C23H20BrFN4O2S/c1-30-20-12-15(11-18(24)21(20)31-14-17-9-5-6-10-19(17)25)13-26-29-22(27-28-23(29)32)16-7-3-2-4-8-16/h2-12,26H,13-14H2,1H3,(H,28,32)