1-[2-[(4-chlorophenyl)methylsulfanyl]octyl]imidazole nitrate

Systemtic Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]octyl]imidazole nitrate Openeye Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]octyl]imidazole nitrate CAS Name: 1-[2-[(4-chlorophenyl)methylthio]octyl]imidazole nitrate IUPAC Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]octyl]imidazole nitrate Traditional Name: 1-[2-[(4-chlorobenzyl)thio]octyl]imidazole nitrate Formula: C18H25ClN3O3S- MolecularWeight: 398.9274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CN1C=CN=C1)SCC2=CC=C(C=C2)Cl.[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCCCC(CN1C=CN=C1)SCC2=CC=C(C=C2)Cl.[N+](=O)([O-])[O-]

InChI

InChI=1S/C18H25ClN2S.NO3/c1-2-3-4-5-6-18(13-21-12-11-20-15-21)22-14-16-7-9-17(19)10-8-16;2-1(3)4/h7-12,15,18H,2-6,13-14H2,1H3;/q;-1