2-ethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 2-ethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 2-ethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 2-ethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 2-ethyl-N-(6-mesyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide Formula: C14H13N5O5S2 MolecularWeight: 395.41352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C14H13N5O5S2/c1-3-18-12(10(7-15-18)19(21)22)13(20)17-14-16-9-5-4-8(26(2,23)24)6-11(9)25-14/h4-7H,3H2,1-2H3,(H,16,17,20)