1-(2-chloranyl-5-ethenylsulfanyl-4-nitro-thiophen-3-yl)azepane

Systemtic Name: 1-(2-chloranyl-5-ethenylsulfanyl-4-nitro-thiophen-3-yl)azepane Openeye Name: 1-(2-chloro-4-nitro-5-vinylsulfanyl-3-thienyl)azepane CAS Name: 1-[2-chloro-5-(ethenylthio)-4-nitro-3-thiophenyl]azepane IUPAC Name: 1-(2-chloro-5-ethenylsulfanyl-4-nitrothiophen-3-yl)azepane Traditional Name: 1-[2-chloro-4-nitro-5-(vinylthio)-3-thienyl]azepane Formula: C12H15ClN2O2S2 MolecularWeight: 318.8427

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Descriptors Computed from Structure

Canonical SMILES:

C=CSC1=C(C(=C(S1)Cl)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

C=CSC1=C(C(=C(S1)Cl)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C12H15ClN2O2S2/c1-2-18-12-10(15(16)17)9(11(13)19-12)14-7-5-3-4-6-8-14/h2H,1,3-8H2