2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxamide Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=C(C=CS2)C(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C(C=CS2)C(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4S/c1-6-10(17(20)21)7(2)16(15-6)5-9(18)14-12-8(11(13)19)3-4-22-12/h3-4H,5H2,1-2H3,(H2,13,19)(H,14,18)