1-[2-heptylsulfanyl-2-(4-nitrophenyl)ethyl]imidazole

Systemtic Name: 1-[2-heptylsulfanyl-2-(4-nitrophenyl)ethyl]imidazole Openeye Name: 1-[2-heptylsulfanyl-2-(4-nitrophenyl)ethyl]imidazole CAS Name: 1-[2-(heptylthio)-2-(4-nitrophenyl)ethyl]imidazole IUPAC Name: 1-[2-heptylsulfanyl-2-(4-nitrophenyl)ethyl]imidazole Traditional Name: 1-[2-(heptylthio)-2-(4-nitrophenyl)ethyl]imidazole Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC(CN1C=CN=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCSC(CN1C=CN=C1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O2S/c1-2-3-4-5-6-13-24-18(14-20-12-11-19-15-20)16-7-9-17(10-8-16)21(22)23/h7-12,15,18H,2-6,13-14H2,1H3