2-methyl-5-nitro-3-(phenylmethyl)imidazole-4-thiol

Systemtic Name: 2-methyl-5-nitro-3-(phenylmethyl)imidazole-4-thiol Openeye Name: 3-benzyl-2-methyl-5-nitro-imidazole-4-thiol CAS Name: 2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolethiol IUPAC Name: 3-benzyl-2-methyl-5-nitroimidazole-4-thiol Traditional Name: 3-benzyl-2-methyl-5-nitro-imidazole-4-thiol Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)S)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c1-8-12-10(14(15)16)11(17)13(8)7-9-5-3-2-4-6-9/h2-6,17H,7H2,1H3