2-(3,5-dimethylpyrazol-1-yl)-2-(1,3-dithiolan-2-ylidene)-1-phenyl-ethanone

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-2-(1,3-dithiolan-2-ylidene)-1-phenyl-ethanone Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-2-(1,3-dithiolan-2-ylidene)-1-phenyl-ethanone CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-2-(1,3-dithiolan-2-ylidene)-1-phenylethanone IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-2-(1,3-dithiolan-2-ylidene)-1-phenylethanone Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-2-(1,3-dithiolan-2-ylidene)-1-phenyl-ethanone Formula: C16H16N2OS2 MolecularWeight: 316.44104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=C2SCCS2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C(=C2SCCS2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C16H16N2OS2/c1-11-10-12(2)18(17-11)14(16-20-8-9-21-16)15(19)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3