1-[4-(4-bromophenyl)-4-octylsulfanyl-butyl]imidazole

Systemtic Name: 1-[4-(4-bromophenyl)-4-octylsulfanyl-butyl]imidazole Openeye Name: 1-[4-(4-bromophenyl)-4-octylsulfanyl-butyl]imidazole CAS Name: 1-[4-(4-bromophenyl)-4-(octylthio)butyl]imidazole IUPAC Name: 1-[4-(4-bromophenyl)-4-octylsulfanylbutyl]imidazole Traditional Name: 1-[4-(4-bromophenyl)-4-(octylthio)butyl]imidazole Formula: C21H31BrN2S MolecularWeight: 423.45324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(CCCN1C=CN=C1)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCCSC(CCCN1C=CN=C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H31BrN2S/c1-2-3-4-5-6-7-17-25-21(19-10-12-20(22)13-11-19)9-8-15-24-16-14-23-18-24/h10-14,16,18,21H,2-9,15,17H2,1H3