4-(3,5-dimethylpyrazol-1-yl)-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-1-thiophen-2-yl-butan-1-one Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-1-(2-thienyl)butan-1-one CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-1-thiophen-2-yl-1-butanone IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-1-thiophen-2-ylbutan-1-one Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-1-(2-thienyl)butan-1-one Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCC(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=CC(=NN1CCCC(=O)C2=CC=CS2)C

InChI

InChI=1S/C13H16N2OS/c1-10-9-11(2)15(14-10)7-3-5-12(16)13-6-4-8-17-13/h4,6,8-9H,3,5,7H2,1-2H3