N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-nitro-thiophene-3-carboxamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-nitro-thiophene-3-carboxamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-nitro-thiophene-3-carboxamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-5-nitro-3-thiophenecarboxamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-nitrothiophene-3-carboxamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-nitro-thiophene-3-carboxamide Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-11-15(12(2)20(19-11)14-6-4-3-5-7-14)9-18-17(22)13-8-16(21(23)24)25-10-13/h3-8,10H,9H2,1-2H3,(H,18,22)