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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN5S/c1-3-22(4-2)13-23-18(25)24(16-7-5-15(19)6-8-16)17(21-23)14-9-11-20-12-10-14/h5-12H,3-4,13H2,1-2H3/p+1