2-(4-tert-butylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[(4-tert-butylphenyl)thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(4-tert-butylphenyl)thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C16H19NOS MolecularWeight: 273.39316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NOS/c1-16(2,3)12-6-8-13(9-7-12)19-11-15(18)14-5-4-10-17-14/h4-10,17H,11H2,1-3H3