2-(2-methyl-5-pentyl-pyrrol-1-yl)ethanethiol

Systemtic Name: 2-(2-methyl-5-pentyl-pyrrol-1-yl)ethanethiol Openeye Name: 2-(2-methyl-5-pentyl-pyrrol-1-yl)ethanethiol CAS Name: 2-(2-methyl-5-pentyl-1-pyrrolyl)ethanethiol IUPAC Name: 2-(2-methyl-5-pentylpyrrol-1-yl)ethanethiol Traditional Name: 2-(2-amyl-5-methyl-pyrrol-1-yl)ethanethiol Formula: C12H21NS MolecularWeight: 211.36684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(N1CCS)C

Isomeric SMILES

CCCCCC1=CC=C(N1CCS)C

InChI

InChI=1S/C12H21NS/c1-3-4-5-6-12-8-7-11(2)13(12)9-10-14/h7-8,14H,3-6,9-10H2,1-2H3