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

Systemtic Name: 3-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylpropanenitrile Openeye Name: 3-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylpropanenitrile CAS Name: 3-[[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitro-4-imidazolyl]thio]propanenitrile IUPAC Name: 3-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylpropanenitrile Traditional Name: 3-[[3-(4-methoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]propionitrile Formula: C15H15N5O5S MolecularWeight: 377.3751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O5S/c1-10-17-14(20(23)24)15(26-7-3-6-16)18(10)9-11-4-5-13(25-2)12(8-11)19(21)22/h4-5,8H,3,7,9H2,1-2H3