4,5-dimethyl-1-(2-methylpropyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]imidazole

Systemtic Name: 4,5-dimethyl-1-(2-methylpropyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]imidazole Openeye Name: 1-isobutyl-4,5-dimethyl-2-[1-(3-nitrophenyl)ethylsulfanyl]imidazole CAS Name: 4,5-dimethyl-1-(2-methylpropyl)-2-[1-(3-nitrophenyl)ethylthio]imidazole IUPAC Name: 4,5-dimethyl-1-(2-methylpropyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]imidazole Traditional Name: 1-isobutyl-4,5-dimethyl-2-[1-(3-nitrophenyl)ethylthio]imidazole Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SC(C)C2=CC(=CC=C2)[N+](=O)[O-])CC(C)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SC(C)C2=CC(=CC=C2)[N+](=O)[O-])CC(C)C)C

InChI

InChI=1S/C17H23N3O2S/c1-11(2)10-19-13(4)12(3)18-17(19)23-14(5)15-7-6-8-16(9-15)20(21)22/h6-9,11,14H,10H2,1-5H3