3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzenesulfonamide perchlorate

Systemtic Name: 3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzenesulfonamide perchlorate Openeye Name: 3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)benzenesulfonamide perchlorate CAS Name: 3-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzenesulfonamide perchlorate IUPAC Name: 3-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzenesulfonamide perchlorate Traditional Name: 3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)benzenesulfonamide perchlorate Formula: C21H19ClN4O6S3 MolecularWeight: 555.04676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=CC(=CC=C2)S(=O)(=O)NC3=NNC(=S)S3)C)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=CC(=CC=C2)S(=O)(=O)NC3=NNC(=S)S3)C)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H18N4O2S3.ClHO4/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;2-1(3,4)5/h3-13H,1-2H3,(H-,22,23,24,28);(H,2,3,4,5)