2-(azidomethyl)-1-methyl-4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-imidazole

Systemtic Name: 2-(azidomethyl)-1-methyl-4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-imidazole Openeye Name: 2-(azidomethyl)-5-isopropyl-1-methyl-4-(3-nitrophenyl)sulfanyl-imidazole CAS Name: 2-(azidomethyl)-1-methyl-4-[(3-nitrophenyl)thio]-5-propan-2-ylimidazole IUPAC Name: 2-(azidomethyl)-1-methyl-4-(3-nitrophenyl)sulfanyl-5-propan-2-ylimidazole Traditional Name: 2-(azidomethyl)-5-isopropyl-1-methyl-4-[(3-nitrophenyl)thio]imidazole Formula: C14H16N6O2S MolecularWeight: 332.38084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C(N1C)CN=[N+]=[N-])SC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(N=C(N1C)CN=[N+]=[N-])SC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O2S/c1-9(2)13-14(17-12(19(13)3)8-16-18-15)23-11-6-4-5-10(7-11)20(21)22/h4-7,9H,8H2,1-3H3