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

Systemtic Name: 5-[[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Openeye Name: 5-[[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide CAS Name: 5-[[4-(2,4,6-trimethyl-1-pyridin-1-iumyl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide IUPAC Name: 5-[[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Traditional Name: 5-[[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Formula: C16H18N5O4S3+ MolecularWeight: 440.54022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N5O4S3/c1-10-8-11(2)21(12(3)9-10)13-4-6-14(7-5-13)28(24,25)20-15-18-19-16(26-15)27(17,22)23/h4-9H,1-3H3,(H,18,20)(H2,17,22,23)/q+1