N-(3-aminocarbonyl-4-ethyl-5-methyl-thiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4-ethyl-5-methyl-thiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(3-carbamoyl-4-ethyl-5-methyl-2-thienyl)-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-(3-carbamoyl-4-ethyl-5-methyl-2-thiophenyl)-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(3-carbamoyl-4-ethyl-5-methyl-2-thienyl)-4-nitro-1H-pyrazole-5-carboxamide Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=O)C2=C(C=NN2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=O)C2=C(C=NN2)[N+](=O)[O-])C

InChI

InChI=1S/C12H13N5O4S/c1-3-6-5(2)22-12(8(6)10(13)18)15-11(19)9-7(17(20)21)4-14-16-9/h4H,3H2,1-2H3,(H2,13,18)(H,14,16)(H,15,19)