3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C13H11N5O6S2 MolecularWeight: 397.38634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C13H11N5O6S2/c1-24-12-10(18(20)21)9(16-17-12)11(19)15-13-14-7-4-3-6(26(2,22)23)5-8(7)25-13/h3-5H,1-2H3,(H,16,17)(H,14,15,19)