2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: 2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: 2-[(6-methoxy-3-nitro-2-pyridyl)sulfanyl]-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: 2-[(6-methoxy-3-nitro-2-pyridinyl)thio]-N-methylsulfonyl-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: 2-(6-methoxy-3-nitropyridin-2-yl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: N-mesyl-2-[(6-methoxy-3-nitro-2-pyridyl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C16H21N5O6S2 MolecularWeight: 443.49784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)N(C(=O)C(C)SC2=C(C=CC(=N2)OC)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1C)C)N(C(=O)C(C)SC2=C(C=CC(=N2)OC)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C16H21N5O6S2/c1-9-14(10(2)19(4)18-9)20(29(6,25)26)16(22)11(3)28-15-12(21(23)24)7-8-13(17-15)27-5/h7-8,11H,1-6H3