1-(3-methylbutyl)-4-nitro-5-phenylsulfanyl-2-propan-2-yl-imidazole

Systemtic Name: 1-(3-methylbutyl)-4-nitro-5-phenylsulfanyl-2-propan-2-yl-imidazole Openeye Name: 1-isopentyl-2-isopropyl-4-nitro-5-phenylsulfanyl-imidazole CAS Name: 1-(3-methylbutyl)-4-nitro-5-(phenylthio)-2-propan-2-ylimidazole IUPAC Name: 1-(3-methylbutyl)-4-nitro-5-phenylsulfanyl-2-propan-2-ylimidazole Traditional Name: 1-isoamyl-2-isopropyl-4-nitro-5-(phenylthio)imidazole Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(N=C1C(C)C)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN1C(=C(N=C1C(C)C)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O2S/c1-12(2)10-11-19-15(13(3)4)18-16(20(21)22)17(19)23-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3