2-azanyl-4,4-bis(ethylsulfanyl)-6-(6-nitro-1,3-benzodioxol-5-yl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Systemtic Name: 2-azanyl-4,4-bis(ethylsulfanyl)-6-(6-nitro-1,3-benzodioxol-5-yl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-4,4-bis(ethylsulfanyl)-6-(6-nitro-1,3-benzodioxol-5-yl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-4,4-bis(ethylthio)-6-(6-nitro-1,3-benzodioxol-5-yl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-4,4-bis(ethylsulfanyl)-6-(6-nitro-1,3-benzodioxol-5-yl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-4,4-bis(ethylthio)-6-(6-nitro-1,3-benzodioxol-5-yl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C18H17N5O4S2 MolecularWeight: 431.48868

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(C2(C(C2(C(=N1)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)SCC

Isomeric SMILES

CCSC1(C2(C(C2(C(=N1)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)SCC

InChI

InChI=1S/C18H17N5O4S2/c1-3-28-18(29-4-2)17(8-20)14(16(17,7-19)15(21)22-18)10-5-12-13(27-9-26-12)6-11(10)23(24)25/h5-6,14H,3-4,9H2,1-2H3,(H2,21,22)