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

Systemtic Name: 4-[[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-4-(2-fluorobenzyl)oxy-5-methoxy-benzyl]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C22H19BrFN5O2S MolecularWeight: 516.385963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrFN5O2S/c1-30-19-11-14(10-17(23)20(19)31-13-16-4-2-3-5-18(16)24)12-26-29-21(27-28-22(29)32)15-6-8-25-9-7-15/h2-11,26H,12-13H2,1H3,(H,28,32)