2-(2-heptan-3-yl-5-methyl-pyrrol-1-yl)ethanethiol

Systemtic Name: 2-(2-heptan-3-yl-5-methyl-pyrrol-1-yl)ethanethiol Openeye Name: 2-[2-(1-ethylpentyl)-5-methyl-pyrrol-1-yl]ethanethiol CAS Name: 2-(2-heptan-3-yl-5-methyl-1-pyrrolyl)ethanethiol IUPAC Name: 2-(2-heptan-3-yl-5-methylpyrrol-1-yl)ethanethiol Traditional Name: 2-[2-(1-ethylpentyl)-5-methyl-pyrrol-1-yl]ethanethiol Formula: C14H25NS MolecularWeight: 239.42

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=CC=C(N1CCS)C

Isomeric SMILES

CCCCC(CC)C1=CC=C(N1CCS)C

InChI

InChI=1S/C14H25NS/c1-4-6-7-13(5-2)14-9-8-12(3)15(14)10-11-16/h8-9,13,16H,4-7,10-11H2,1-3H3