3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propanenitrile

Systemtic Name: 3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propanenitrile Openeye Name: 3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propanenitrile CAS Name: 3-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]propanenitrile IUPAC Name: 3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propanenitrile Traditional Name: 3-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]propionitrile Formula: C7H8N4O2S MolecularWeight: 212.22902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1)[N+](=O)[O-])SCCC#N

Isomeric SMILES

CC1=NC(=C(N1)[N+](=O)[O-])SCCC#N

InChI

InChI=1S/C7H8N4O2S/c1-5-9-6(11(12)13)7(10-5)14-4-2-3-8/h2,4H2,1H3,(H,9,10)