3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]propan-1-ol

Systemtic Name: 3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]propan-1-ol Openeye Name: 3-imidazol-1-yl-1-(4-isopentylsulfanylphenyl)-2-methyl-propan-1-ol CAS Name: 3-(1-imidazolyl)-2-methyl-1-[4-(3-methylbutylthio)phenyl]-1-propanol IUPAC Name: 3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]propan-1-ol Traditional Name: 3-imidazol-1-yl-1-[4-(isoamylthio)phenyl]-2-methyl-propan-1-ol Formula: C18H26N2OS MolecularWeight: 318.47684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC=C(C=C1)C(C(C)CN2C=CN=C2)O

Isomeric SMILES

CC(C)CCSC1=CC=C(C=C1)C(C(C)CN2C=CN=C2)O

InChI

InChI=1S/C18H26N2OS/c1-14(2)8-11-22-17-6-4-16(5-7-17)18(21)15(3)12-20-10-9-19-13-20/h4-7,9-10,13-15,18,21H,8,11-12H2,1-3H3