5-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-dihydro-1,2,4-triazole-3-thione

Systemtic Name: 5-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-dihydro-1,2,4-triazole-3-thione Openeye Name: 5-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-dihydro-1,2,4-triazole-3-thione CAS Name: 5-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]-1,2-dihydro-1,2,4-triazole-3-thione IUPAC Name: 5-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-1,2-dihydro-1,2,4-triazole-3-thione Traditional Name: 5-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-dihydro-1,2,4-triazole-3-thione Formula: C20H18FN4O2S+ MolecularWeight: 397.445923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC(=S)NN3)C4=CC=C(C=C4)F)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC(=S)NN3)C4=CC=C(C=C4)F)OC)OC

InChI

InChI=1S/C20H17FN4O2S/c1-11-8-13-9-16(26-2)17(27-3)10-15(13)18(12-4-6-14(21)7-5-12)25(11)19-22-20(28)24-23-19/h4-10H,1-3H3,(H-,22,23,24,28)/p+1