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

Systemtic Name: 5-[6,7-dimethoxy-3-methyl-1-(4-propan-2-ylphenyl)isoquinolin-2-ium-2-yl]-1,2-dihydro-1,2,4-triazole-3-thione Openeye Name: 5-[1-(4-isopropylphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-dihydro-1,2,4-triazole-3-thione CAS Name: 5-[6,7-dimethoxy-3-methyl-1-(4-propan-2-ylphenyl)-2-isoquinolin-2-iumyl]-1,2-dihydro-1,2,4-triazole-3-thione IUPAC Name: 5-[6,7-dimethoxy-3-methyl-1-(4-propan-2-ylphenyl)isoquinolin-2-ium-2-yl]-1,2-dihydro-1,2,4-triazole-3-thione Traditional Name: 5-(6,7-dimethoxy-3-methyl-1-p-cumenyl-isoquinolin-2-ium-2-yl)-1,2-dihydro-1,2,4-triazole-3-thione Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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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)C(C)C)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O2S/c1-13(2)15-6-8-16(9-7-15)21-18-12-20(29-5)19(28-4)11-17(18)10-14(3)27(21)22-24-23(30)26-25-22/h6-13H,1-5H3,(H-,24,25,26,30)/p+1