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

Systemtic Name: (4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: [4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: (4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: (4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(3-fluorobenzyl)-methyl-ammonium Formula: C17H20FN4S2+ MolecularWeight: 363.495903

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC(=CC=C2)F)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC(=CC=C2)F)C3=CC=CS3

InChI

InChI=1S/C17H19FN4S2/c1-3-21-16(15-8-5-9-24-15)19-22(17(21)23)12-20(2)11-13-6-4-7-14(18)10-13/h4-10H,3,11-12H2,1-2H3/p+1