4-[4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylphenyl]-5-quinolin-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylphenyl]-5-quinolin-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylphenyl]-5-(2-quinolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[4-[(4,6-dimethyl-2-pyrimidinyl)azanidylsulfonyl]phenyl]-5-(2-quinolinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylphenyl]-5-quinolin-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylphenyl]-5-(2-quinolyl)-1,2,4-triazole-3-thiolate Formula: C23H17N7O2S2-2 MolecularWeight: 487.55678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)N3C(=NN=C3[S-])C4=NC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)N3C(=NN=C3[S-])C4=NC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C23H18N7O2S2/c1-14-13-15(2)25-22(24-14)29-34(31,32)18-10-8-17(9-11-18)30-21(27-28-23(30)33)20-12-7-16-5-3-4-6-19(16)26-20/h3-13H,1-2H3,(H-,24,25,26,28,29,33)/q-1/p-1