4-[(1-methyl-5-nitro-imidazol-2-yl)methylsulfanyl]benzenecarbonitrile

Systemtic Name: 4-[(1-methyl-5-nitro-imidazol-2-yl)methylsulfanyl]benzenecarbonitrile Openeye Name: 4-[(1-methyl-5-nitro-imidazol-2-yl)methylsulfanyl]benzonitrile CAS Name: 4-[(1-methyl-5-nitro-2-imidazolyl)methylthio]benzonitrile IUPAC Name: 4-[(1-methyl-5-nitroimidazol-2-yl)methylsulfanyl]benzonitrile Traditional Name: 4-[(1-methyl-5-nitro-imidazol-2-yl)methylthio]benzonitrile Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1CSC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1CSC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O2S/c1-15-11(14-7-12(15)16(17)18)8-19-10-4-2-9(6-13)3-5-10/h2-5,7H,8H2,1H3