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

Systemtic Name: (4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: (4-ethyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: [4-ethyl-3-(4-morpholinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: (4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: (4-ethyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl-(4-fluorobenzyl)-methyl-ammonium Formula: C17H25FN5OS+ MolecularWeight: 366.476703

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)F)N3CCOCC3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)F)N3CCOCC3

InChI

InChI=1S/C17H24FN5OS/c1-3-22-16(21-8-10-24-11-9-21)19-23(17(22)25)13-20(2)12-14-4-6-15(18)7-5-14/h4-7H,3,8-13H2,1-2H3/p+1