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

Systemtic Name: (4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: (4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: (4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: (4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: (4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(3-fluorobenzyl)-methyl-ammonium Formula: C19H22FN4S+ MolecularWeight: 357.468183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4S/c1-3-23-18(16-9-5-4-6-10-16)21-24(19(23)25)14-22(2)13-15-8-7-11-17(20)12-15/h4-12H,3,13-14H2,1-2H3/p+1