(4,6-dimethylpyrimidin-2-yl)-[4-(2-pyridin-1-ium-4-ylsulfanylethanoylamino)phenyl]sulfonyl-azanide

Systemtic Name: (4,6-dimethylpyrimidin-2-yl)-[4-(2-pyridin-1-ium-4-ylsulfanylethanoylamino)phenyl]sulfonyl-azanide Openeye Name: (4,6-dimethylpyrimidin-2-yl)-[4-[(2-pyridin-1-ium-4-ylsulfanylacetyl)amino]phenyl]sulfonyl-azanide CAS Name: (4,6-dimethyl-2-pyrimidinyl)-[4-[[1-oxo-2-(4-pyridin-1-iumylthio)ethyl]amino]phenyl]sulfonylazanide IUPAC Name: (4,6-dimethylpyrimidin-2-yl)-[4-[(2-pyridin-1-ium-4-ylsulfanylacetyl)amino]phenyl]sulfonylazanide Traditional Name: (4,6-dimethylpyrimidin-2-yl)-[4-[[2-(pyridin-1-ium-4-ylthio)acetyl]amino]phenyl]sulfonyl-azanide Formula: C19H19N5O3S2 MolecularWeight: 429.51586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=[NH+]C=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=[NH+]C=C3)C

InChI

InChI=1S/C19H19N5O3S2/c1-13-11-14(2)22-19(21-13)24-29(26,27)17-5-3-15(4-6-17)23-18(25)12-28-16-7-9-20-10-8-16/h3-11H,12H2,1-2H3,(H2,21,22,23,24,25)