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

Systemtic Name: 5-[3-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]sulfonylazanidyl-1,3,4-thiadiazole-2-thiolate Openeye Name: 5-[3-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]sulfonylazanidyl-1,3,4-thiadiazole-2-thiolate CAS Name: 5-[3-(2,4,6-trimethyl-1-pyridin-1-iumyl)phenyl]sulfonylazanidyl-1,3,4-thiadiazole-2-thiolate IUPAC Name: 5-[3-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]sulfonylazanidyl-1,3,4-thiadiazole-2-thiolate Traditional Name: 5-[3-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]sulfonylazanidyl-1,3,4-thiadiazole-2-thiolate Formula: C16H15N4O2S3- MolecularWeight: 391.5109

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)C2=CC(=CC=C2)S(=O)(=O)[N-]C3=NN=C(S3)[S-])C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)C2=CC(=CC=C2)S(=O)(=O)[N-]C3=NN=C(S3)[S-])C

InChI

InChI=1S/C16H16N4O2S3/c1-10-7-11(2)20(12(3)8-10)13-5-4-6-14(9-13)25(21,22)19-15-17-18-16(23)24-15/h4-9H,1-3H3,(H-,17,18,19,23)/p-1