2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylethanoic acid Openeye Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanylacetic acid CAS Name: 2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]acetic acid IUPAC Name: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetic acid Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]acetic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S/c1-9-14-12(16(19)20)13(21-8-11(17)18)15(9)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,18)