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

Systemtic Name: (4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: [4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: (4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: (4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: [4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-fluorobenzyl)-methyl-ammonium Formula: C18H21FN5S+ MolecularWeight: 358.456243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN5S/c1-3-23-17(15-8-10-20-11-9-15)21-24(18(23)25)13-22(2)12-14-4-6-16(19)7-5-14/h4-11H,3,12-13H2,1-2H3/p+1