1-[4-(4-chlorophenyl)-2-octylsulfanyl-butyl]imidazole

Systemtic Name: 1-[4-(4-chlorophenyl)-2-octylsulfanyl-butyl]imidazole Openeye Name: 1-[4-(4-chlorophenyl)-2-octylsulfanyl-butyl]imidazole CAS Name: 1-[4-(4-chlorophenyl)-2-(octylthio)butyl]imidazole IUPAC Name: 1-[4-(4-chlorophenyl)-2-octylsulfanylbutyl]imidazole Traditional Name: 1-[4-(4-chlorophenyl)-2-(octylthio)butyl]imidazole Formula: C21H31ClN2S MolecularWeight: 379.00224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(CCC1=CC=C(C=C1)Cl)CN2C=CN=C2

Isomeric SMILES

CCCCCCCCSC(CCC1=CC=C(C=C1)Cl)CN2C=CN=C2

InChI

InChI=1S/C21H31ClN2S/c1-2-3-4-5-6-7-16-25-21(17-24-15-14-23-18-24)13-10-19-8-11-20(22)12-9-19/h8-9,11-12,14-15,18,21H,2-7,10,13,16-17H2,1H3