2-(2,5-dimethylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[(2,5-dimethylphenyl)thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(2,5-dimethylphenyl)thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C14H15NOS MolecularWeight: 245.34

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)C2=CC=CN2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)C2=CC=CN2

InChI

InChI=1S/C14H15NOS/c1-10-5-6-11(2)14(8-10)17-9-13(16)12-4-3-7-15-12/h3-8,15H,9H2,1-2H3