[4-[2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanylethanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanylethanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanylacetyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[2-[(3-cyano-4,6-dimethyl-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[2-(3-cyano-4,6-dimethylpyridin-1-ium-2-yl)sulfanylacetyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[2-[(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)thio]acetyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C20H18N6O3S2 MolecularWeight: 454.52532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3)C

InChI

InChI=1S/C20H18N6O3S2/c1-13-10-14(2)24-19(17(13)11-21)30-12-18(27)25-15-4-6-16(7-5-15)31(28,29)26-20-22-8-3-9-23-20/h3-10H,12H2,1-2H3,(H2,22,23,25,26,27)