[5-[2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoylamino]-1,3,4-thiadiazol-2-yl]sulfonylazanide

Systemtic Name: [5-[2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoylamino]-1,3,4-thiadiazol-2-yl]sulfonylazanide Openeye Name: [5-[[2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfonylazanide CAS Name: [5-[[2-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-1,3,4-thiadiazol-2-yl]sulfonylazanide IUPAC Name: [5-[[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfonylazanide Traditional Name: [5-[[2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfonylazanide Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CC(=O)NC2=NN=C(S2)S(=O)(=O)[NH-])C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=[N+]1CC(=O)NC2=NN=C(S2)S(=O)(=O)[NH-])C)C3=CC=CC=C3

InChI

InChI=1S/C17H17N5O3S2/c1-11-8-14(13-6-4-3-5-7-13)9-12(2)22(11)10-15(23)19-16-20-21-17(26-16)27(18,24)25/h3-9H,10H2,1-2H3,(H2-,18,19,20,23,24,25)