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

Systemtic Name: 2-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(5-fluoro-2-methoxy-benzyl)piperazino]methyl]-4-phenyl-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/c1-28-20-8-7-18(22)13-17(20)14-24-9-11-25(12-10-24)16-27-21(29)26(15-23-27)19-5-3-2-4-6-19/h2-8,13,15H,9-12,14,16H2,1H3