2-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(5-fluoro-2-methoxy-benzyl)piperazino]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C21H24FN5OS MolecularWeight: 413.511563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CCN(CC2)CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CCN(CC2)CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H24FN5OS/c1-28-19-8-7-18(22)13-17(19)14-25-9-11-26(12-10-25)15-27-21(29)23-20(24-27)16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,23,24,29)