4-imidazol-1-yl-4-(2,4,5-trinitrophenyl)sulfinyl-butanenitrile

Systemtic Name: 4-imidazol-1-yl-4-(2,4,5-trinitrophenyl)sulfinyl-butanenitrile Openeye Name: 4-imidazol-1-yl-4-(2,4,5-trinitrophenyl)sulfinyl-butanenitrile CAS Name: 4-(1-imidazolyl)-4-(2,4,5-trinitrophenyl)sulfinylbutanenitrile IUPAC Name: 4-imidazol-1-yl-4-(2,4,5-trinitrophenyl)sulfinylbutanenitrile Traditional Name: 4-imidazol-1-yl-4-(2,4,5-trinitrophenyl)sulfinyl-butyronitrile Formula: C13H10N6O7S MolecularWeight: 394.3195

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C(CCC#N)S(=O)C2=C(C=C(C(=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)C(CCC#N)S(=O)C2=C(C=C(C(=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N6O7S/c14-3-1-2-13(16-5-4-15-8-16)27(26)12-7-10(18(22)23)9(17(20)21)6-11(12)19(24)25/h4-8,13H,1-2H2