1-methyl-4-nitro-5-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-imidazole

Systemtic Name: 1-methyl-4-nitro-5-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-imidazole Openeye Name: 5-(1-benzylimidazol-2-yl)sulfanyl-1-methyl-4-nitro-imidazole CAS Name: 1-methyl-4-nitro-5-[[1-(phenylmethyl)-2-imidazolyl]thio]imidazole IUPAC Name: 5-(1-benzylimidazol-2-yl)sulfanyl-1-methyl-4-nitroimidazole Traditional Name: 5-[(1-benzylimidazol-2-yl)thio]-1-methyl-4-nitro-imidazole Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC=CN2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC=CN2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O2S/c1-17-10-16-12(19(20)21)13(17)22-14-15-7-8-18(14)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3