N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-ethyl-5-propyl-thiophene-2-carboxamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-ethyl-5-propyl-thiophene-2-carboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-ethyl-5-propyl-thiophene-2-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-ethyl-5-propyl-2-thiophenecarboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethyl-5-propylthiophene-2-carboxamide Traditional Name: 4-ethyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-propyl-thiophene-2-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)CC

InChI

InChI=1S/C21H25N3O2S/c1-5-10-17-15(6-2)13-18(27-17)20(25)22-19-14(3)23(4)24(21(19)26)16-11-8-7-9-12-16/h7-9,11-13H,5-6,10H2,1-4H3,(H,22,25)