N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C17H17N5O5S MolecularWeight: 403.41238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5S/c1-4-21-8-13(22(24)25)15(20-21)16(23)19-17-18-12(9-28-17)11-7-10(26-2)5-6-14(11)27-3/h5-9H,4H2,1-3H3,(H,18,19,23)