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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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