2-adamantyl-[[4-(4-fluorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium

Systemtic Name: 2-adamantyl-[[4-(4-fluorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: 2-adamantyl-[[4-(4-fluorophenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: 2-adamantyl-[[4-(4-fluorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: 2-adamantyl-[[4-(4-fluorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: 2-adamantyl-[[4-(4-fluorophenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C25H29FN5S+ MolecularWeight: 450.594663

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)F)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[NH+](CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)F)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C25H28FN5S/c1-29(23-19-11-16-10-17(13-19)14-20(23)12-16)15-30-25(32)31(22-4-2-21(26)3-5-22)24(28-30)18-6-8-27-9-7-18/h2-9,16-17,19-20,23H,10-15H2,1H3/p+1