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

Systemtic Name: 4-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[4-(4-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=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)OCC4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)OCC4=CC=C(C=C4)F

InChI

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