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

Systemtic Name: cyclohexyl-[[4-(4-fluorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[4-(4-fluorophenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[4-(4-fluorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[4-(4-fluorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: cyclohexyl-[[4-(4-fluorophenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C21H25FN5S+ MolecularWeight: 398.520103

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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)C4CCCCC4

Isomeric SMILES

C[NH+](CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)F)C4CCCCC4

InChI

InChI=1S/C21H24FN5S/c1-25(18-5-3-2-4-6-18)15-26-21(28)27(19-9-7-17(22)8-10-19)20(24-26)16-11-13-23-14-12-16/h7-14,18H,2-6,15H2,1H3/p+1