ethyl 2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylethanoate Openeye Name: ethyl 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanylacetate CAS Name: 2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetate Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]acetic acid ethyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(N=C(N1CC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(N=C(N1CC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4S/c1-3-22-13(19)10-23-15-14(18(20)21)16-11(2)17(15)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3