2-nitro-N1,N1'-bis[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]ethene-1,1-diamine

Systemtic Name: 2-nitro-N1,N1'-bis[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]ethene-1,1-diamine Openeye Name: N1,N1'-bis[2-(isoxazol-3-ylmethylsulfanyl)ethyl]-2-nitro-ethene-1,1-diamine CAS Name: N1,N1'-bis[2-(3-isoxazolylmethylthio)ethyl]-2-nitroethene-1,1-diamine IUPAC Name: 2-nitro-1-N,1-N'-bis[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]ethene-1,1-diamine Traditional Name: 2-(isoxazol-3-ylmethylthio)ethyl-[1-[2-(isoxazol-3-ylmethylthio)ethylamino]-2-nitro-vinyl]amine Formula: C14H19N5O4S2 MolecularWeight: 385.46176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CON=C1CSCCNC(=C[N+](=O)[O-])NCCSCC2=NOC=C2

Isomeric SMILES

C1=CON=C1CSCCNC(=C[N+](=O)[O-])NCCSCC2=NOC=C2

InChI

InChI=1S/C14H19N5O4S2/c20-19(21)9-14(15-3-7-24-10-12-1-5-22-17-12)16-4-8-25-11-13-2-6-23-18-13/h1-2,5-6,9,15-16H,3-4,7-8,10-11H2