2-butylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-butylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-butylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-(butylthio)-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-butylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-(butylthio)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C13H21NOS MolecularWeight: 239.37694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)C1=C(N(C(=C1)C)C)C

Isomeric SMILES

CCCCSCC(=O)C1=C(N(C(=C1)C)C)C

InChI

InChI=1S/C13H21NOS/c1-5-6-7-16-9-13(15)12-8-10(2)14(4)11(12)3/h8H,5-7,9H2,1-4H3