1-imidazol-1-ylhexan-2-ol; 3-(3-methylbutylsulfanyl)bicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: 1-imidazol-1-ylhexan-2-ol; 3-(3-methylbutylsulfanyl)bicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: 1-imidazol-1-ylhexan-2-ol; 3-isopentylsulfanylbicyclo[2.2.1]hepta-1,3,5-triene CAS Name: 1-(1-imidazolyl)-2-hexanol; 3-(3-methylbutylthio)bicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: 1-imidazol-1-ylhexan-2-ol; 3-(3-methylbutylsulfanyl)bicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: 1-imidazol-1-ylhexan-2-ol; 3-(isoamylthio)bicyclo[2.2.1]hepta-1,3,5-triene Formula: C21H32N2OS MolecularWeight: 360.55658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=CN=C1)O.CC(C)CCSC1=C2CC(=C1)C=C2

Isomeric SMILES

CCCCC(CN1C=CN=C1)O.CC(C)CCSC1=C2CC(=C1)C=C2

InChI

InChI=1S/C12H16S.C9H16N2O/c1-9(2)5-6-13-12-8-10-3-4-11(12)7-10;1-2-3-4-9(12)7-11-6-5-10-8-11/h3-4,8-9H,5-7H2,1-2H3;5-6,8-9,12H,2-4,7H2,1H3