1-[3-(4-methylphenyl)-3-octylsulfanyl-propyl]imidazole

Systemtic Name: 1-[3-(4-methylphenyl)-3-octylsulfanyl-propyl]imidazole Openeye Name: 1-[3-octylsulfanyl-3-(p-tolyl)propyl]imidazole CAS Name: 1-[3-(4-methylphenyl)-3-(octylthio)propyl]imidazole IUPAC Name: 1-[3-(4-methylphenyl)-3-octylsulfanylpropyl]imidazole Traditional Name: 1-[3-(octylthio)-3-(p-tolyl)propyl]imidazole Formula: C21H32N2S MolecularWeight: 344.55718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(CCN1C=CN=C1)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCSC(CCN1C=CN=C1)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H32N2S/c1-3-4-5-6-7-8-17-24-21(13-15-23-16-14-22-18-23)20-11-9-19(2)10-12-20/h9-12,14,16,18,21H,3-8,13,15,17H2,1-2H3