3-[4-nitro-2-(4-nitrophenyl)sulfanyl-imidazol-1-yl]propanenitrile

Systemtic Name: 3-[4-nitro-2-(4-nitrophenyl)sulfanyl-imidazol-1-yl]propanenitrile Openeye Name: 3-[4-nitro-2-(4-nitrophenyl)sulfanyl-imidazol-1-yl]propanenitrile CAS Name: 3-[4-nitro-2-[(4-nitrophenyl)thio]-1-imidazolyl]propanenitrile IUPAC Name: 3-[4-nitro-2-(4-nitrophenyl)sulfanylimidazol-1-yl]propanenitrile Traditional Name: 3-[4-nitro-2-[(4-nitrophenyl)thio]imidazol-1-yl]propionitrile Formula: C12H9N5O4S MolecularWeight: 319.29596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SC2=NC(=CN2CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SC2=NC(=CN2CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O4S/c13-6-1-7-15-8-11(17(20)21)14-12(15)22-10-4-2-9(3-5-10)16(18)19/h2-5,8H,1,7H2