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

Systemtic Name: (4-fluorophenyl)methyl-methyl-[(4-phenyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-fluorophenyl)methyl-methyl-[[4-phenyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: (4-fluorophenyl)methyl-methyl-[(4-phenyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (4-fluorophenyl)methyl-methyl-[(4-phenyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-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=C(C=C1)F)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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