2-[[2-methyl-5-nitro-3-(phenylmethyl)-1H-imidazol-3-ium-4-yl]sulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[2-methyl-5-nitro-3-(phenylmethyl)-1H-imidazol-3-ium-4-yl]sulfanyl]-1H-benzimidazole Openeye Name: 2-[(3-benzyl-2-methyl-5-nitro-1H-imidazol-3-ium-4-yl)sulfanyl]-1H-benzimidazole CAS Name: 2-[[2-methyl-5-nitro-3-(phenylmethyl)-1H-imidazol-3-ium-4-yl]thio]-1H-benzimidazole IUPAC Name: 2-[(3-benzyl-2-methyl-5-nitro-1H-imidazol-3-ium-4-yl)sulfanyl]-1H-benzimidazole Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-1H-imidazol-3-ium-4-yl)thio]-1H-benzimidazole Formula: C18H16N5O2S+ MolecularWeight: 366.41694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(N1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC1=[N+](C(=C(N1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C18H15N5O2S/c1-12-19-16(23(24)25)17(22(12)11-13-7-3-2-4-8-13)26-18-20-14-9-5-6-10-15(14)21-18/h2-10H,11H2,1H3,(H,20,21)/p+1