3-pentylazulene-5-thiol

Systemtic Name: 3-pentylazulene-5-thiol Openeye Name: 3-pentylazulene-5-thiol CAS Name: 3-pentyl-5-azulenethiol IUPAC Name: 3-pentylazulene-5-thiol Traditional Name: 3-amylazulene-5-thiol Formula: C15H18S MolecularWeight: 230.36842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C2C1=CC(=CC=C2)S

Isomeric SMILES

CCCCCC1=CC=C2C1=CC(=CC=C2)S

InChI

InChI=1S/C15H18S/c1-2-3-4-6-12-9-10-13-7-5-8-14(16)11-15(12)13/h5,7-11,16H,2-4,6H2,1H3