N-(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-(3-carbamoyl-4,5-dimethyl-2-thiophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C12H13N5O5S MolecularWeight: 339.32712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-])C

InChI

InChI=1S/C12H13N5O5S/c1-4-5(2)23-12(6(4)9(13)18)14-10(19)7-8(17(20)21)11(22-3)16-15-7/h1-3H3,(H2,13,18)(H,14,19)(H,15,16)