N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-keto-4-(2-thienyl)butyramide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H21N3O2S/c1-14-17(15(2)23(22-14)16-7-4-3-5-8-16)13-21-20(25)11-10-18(24)19-9-6-12-26-19/h3-9,12H,10-11,13H2,1-2H3,(H,21,25)