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

Systemtic Name: 4-[[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]amino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C20H22BrFN4O2S MolecularWeight: 481.381683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3F)OCC

Isomeric SMILES

CCC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3F)OCC

InChI

InChI=1S/C20H22BrFN4O2S/c1-3-18-24-25-20(29)26(18)23-11-13-9-15(21)19(17(10-13)27-4-2)28-12-14-7-5-6-8-16(14)22/h5-10,23H,3-4,11-12H2,1-2H3,(H,25,29)