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

Systemtic Name: 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[2-(2-fluorobenzyl)oxy-3-methoxy-benzyl]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C22H20FN5O2S MolecularWeight: 437.489903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2F)CNN3C(=NNC3=S)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2F)CNN3C(=NNC3=S)C4=CC=NC=C4

InChI

InChI=1S/C22H20FN5O2S/c1-29-19-8-4-6-16(20(19)30-14-17-5-2-3-7-18(17)23)13-25-28-21(26-27-22(28)31)15-9-11-24-12-10-15/h2-12,25H,13-14H2,1H3,(H,27,31)