3-(3-methylbutyl)azulene-5-thiol

Systemtic Name: 3-(3-methylbutyl)azulene-5-thiol Openeye Name: 3-isopentylazulene-5-thiol CAS Name: 3-(3-methylbutyl)-5-azulenethiol IUPAC Name: 3-(3-methylbutyl)azulene-5-thiol Traditional Name: 3-isoamylazulene-5-thiol Formula: C15H18S MolecularWeight: 230.36842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=C2C1=CC(=CC=C2)S

Isomeric SMILES

CC(C)CCC1=CC=C2C1=CC(=CC=C2)S

InChI

InChI=1S/C15H18S/c1-11(2)6-7-13-9-8-12-4-3-5-14(16)10-15(12)13/h3-5,8-11,16H,6-7H2,1-2H3