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

Systemtic Name: [4-(4-fluorophenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [4-(4-fluorophenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [4-(4-fluorophenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [4-(4-fluorophenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [4-(4-fluorophenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C23H23FN5S+ MolecularWeight: 420.525623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FN5S/c1-27(16-14-20-9-5-6-15-25-20)17-28-23(30)29(21-12-10-19(24)11-13-21)22(26-28)18-7-3-2-4-8-18/h2-13,15H,14,16-17H2,1H3/p+1