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

Systemtic Name: N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[3-(3-methyl-1-phenyl-4-pyrazolyl)propyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-4-(2-thienyl)butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CCCNC(=O)CCC(=O)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C=C1CCCNC(=O)CCC(=O)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-16-17(15-24(23-16)18-8-3-2-4-9-18)7-5-13-22-21(26)12-11-19(25)20-10-6-14-27-20/h2-4,6,8-10,14-15H,5,7,11-13H2,1H3,(H,22,26)