2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylethanenitrile Openeye Name: 2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylacetonitrile CAS Name: 2-[[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitro-4-imidazolyl]thio]acetonitrile IUPAC Name: 2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(4-methoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]acetonitrile Formula: C14H13N5O5S MolecularWeight: 363.34852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O5S/c1-9-16-13(19(22)23)14(25-6-5-15)17(9)8-10-3-4-12(24-2)11(7-10)18(20)21/h3-4,7H,6,8H2,1-2H3