2-(3,4-dimethylphenyl)sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(3,4-dimethylphenyl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(3,4-dimethylphenyl)thio]-1-pyrrolidino-ethanone Formula: C14H19NOS MolecularWeight: 249.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N2CCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2CCCC2)C

InChI

InChI=1S/C14H19NOS/c1-11-5-6-13(9-12(11)2)17-10-14(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3