5-[3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)phenyl]sulfonylazanidyl-1,3,4-thiadiazole-2-thiolate

Systemtic Name: 5-[3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)phenyl]sulfonylazanidyl-1,3,4-thiadiazole-2-thiolate Openeye Name: 5-[3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)phenyl]sulfonylazanidyl-1,3,4-thiadiazole-2-thiolate CAS Name: 5-[3-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)phenyl]sulfonylazanidyl-1,3,4-thiadiazole-2-thiolate IUPAC Name: 5-[3-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)phenyl]sulfonylazanidyl-1,3,4-thiadiazole-2-thiolate Traditional Name: 5-[3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)phenyl]sulfonylazanidyl-1,3,4-thiadiazole-2-thiolate Formula: C21H17N4O2S3- MolecularWeight: 453.58028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=CC(=CC=C2)S(=O)(=O)[N-]C3=NN=C(S3)[S-])C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=CC(=CC=C2)S(=O)(=O)[N-]C3=NN=C(S3)[S-])C)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S3/c1-14-11-17(16-7-4-3-5-8-16)12-15(2)25(14)18-9-6-10-19(13-18)30(26,27)24-20-22-23-21(28)29-20/h3-13H,1-2H3,(H-,22,23,24,28)/p-1