1-cyano-N-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-ethanesulfonamide; 5-methyl-1H-pyrazole

Systemtic Name: 1-cyano-N-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-ethanesulfonamide; 5-methyl-1H-pyrazole Openeye Name: 1-cyano-N-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-ethanesulfonamide; 5-methyl-1H-pyrazole CAS Name: 1-cyano-N-[(4,6-dimethoxy-2-pyrimidinyl)thio]ethanesulfonamide; 5-methyl-1H-pyrazole IUPAC Name: 1-cyano-N-(4,6-dimethoxypyrimidin-2-yl)sulfanylethanesulfonamide; 5-methyl-1H-pyrazole Traditional Name: 1-cyano-N-[(4,6-dimethoxypyrimidin-2-yl)thio]ethanesulfonamide; 5-methyl-1H-pyrazole Formula: C13H18N6O4S2 MolecularWeight: 386.44982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1.CC(C#N)S(=O)(=O)NSC1=NC(=CC(=N1)OC)OC

Isomeric SMILES

CC1=CC=NN1.CC(C#N)S(=O)(=O)NSC1=NC(=CC(=N1)OC)OC

InChI

InChI=1S/C9H12N4O4S2.C4H6N2/c1-6(5-10)19(14,15)13-18-9-11-7(16-2)4-8(12-9)17-3;1-4-2-3-5-6-4/h4,6,13H,1-3H3;2-3H,1H3,(H,5,6)