(E)-N1-[2-[2-(2-azanyl-1,3-oxazol-5-yl)ethylsulfanyl]ethyl]-N1'-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1-[2-[2-(2-azanyl-1,3-oxazol-5-yl)ethylsulfanyl]ethyl]-N1'-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1-[2-[2-(2-aminooxazol-5-yl)ethylsulfanyl]ethyl]-N1'-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1-[2-[2-(2-amino-5-oxazolyl)ethylthio]ethyl]-N1'-[2-[(3-chloro-2-pyridinyl)methylthio]ethyl]-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylsulfanyl]ethyl]-1-N'-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine Traditional Name: 2-[2-(2-aminooxazol-5-yl)ethylthio]ethyl-[(E)-1-[2-[(3-chloro-2-pyridyl)methylthio]ethylamino]-2-nitro-vinyl]amine Formula: C17H23ClN6O3S2 MolecularWeight: 458.98592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCNC(=C[N+](=O)[O-])NCCSCCC2=CN=C(O2)N)Cl

Isomeric SMILES

C1=CC(=C(N=C1)CSCCN/C(=C/[N+](=O)[O-])/NCCSCCC2=CN=C(O2)N)Cl

InChI

InChI=1S/C17H23ClN6O3S2/c18-14-2-1-4-20-15(14)12-29-9-6-22-16(11-24(25)26)21-5-8-28-7-3-13-10-23-17(19)27-13/h1-2,4,10-11,21-22H,3,5-9,12H2,(H2,19,23)/b16-11+