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

Systemtic Name: 4-[[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]amino]-1H-1,2,4-triazole-5-thione Formula: C17H16BrFN4O2S MolecularWeight: 439.301943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16BrFN4O2S/c1-24-15-7-12(8-21-23-10-20-22-17(23)26)6-14(18)16(15)25-9-11-2-4-13(19)5-3-11/h2-7,10,21H,8-9H2,1H3,(H,22,26)