N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide

Systemtic Name: N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide Openeye Name: N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)-3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide CAS Name: N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-3-(2,4,6-trimethyl-1-pyridin-1-iumyl)benzenesulfonamide IUPAC Name: N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide Traditional Name: N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)-3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide Formula: C16H17N4O2S3+ MolecularWeight: 393.52678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)C2=CC(=CC=C2)S(=O)(=O)NC3=NNC(=S)S3)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)C2=CC(=CC=C2)S(=O)(=O)NC3=NNC(=S)S3)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