4-(4-methylsulfanylphenyl)-4-oxidanylidene-N-(1,3,5-trimethylpyrazol-4-yl)butanamide

Systemtic Name: 4-(4-methylsulfanylphenyl)-4-oxidanylidene-N-(1,3,5-trimethylpyrazol-4-yl)butanamide Openeye Name: 4-(4-methylsulfanylphenyl)-4-oxo-N-(1,3,5-trimethylpyrazol-4-yl)butanamide CAS Name: 4-[4-(methylthio)phenyl]-4-oxo-N-(1,3,5-trimethyl-4-pyrazolyl)butanamide IUPAC Name: 4-(4-methylsulfanylphenyl)-4-oxo-N-(1,3,5-trimethylpyrazol-4-yl)butanamide Traditional Name: 4-keto-4-[4-(methylthio)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)butyramide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H21N3O2S/c1-11-17(12(2)20(3)19-11)18-16(22)10-9-15(21)13-5-7-14(23-4)8-6-13/h5-8H,9-10H2,1-4H3,(H,18,22)