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

Systemtic Name: (3-fluorophenyl)methyl-methyl-[(4-phenyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (3-fluorophenyl)methyl-methyl-[[4-phenyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: (3-fluorophenyl)methyl-methyl-[(4-phenyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-methyl-[(4-phenyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (3-fluorobenzyl)-methyl-[[4-phenyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C22H21FN5S+ MolecularWeight: 406.499043

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)F)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)F)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20FN5S/c1-26(15-17-6-5-7-19(23)14-17)16-27-22(29)28(20-8-3-2-4-9-20)21(25-27)18-10-12-24-13-11-18/h2-14H,15-16H2,1H3/p+1